1-[4-[cyclohexyl(2-methoxyethyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;[1-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutyl] formate;1-[4-[ethyl(oxan-4-yl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[(2-methoxy-2-methylpropyl)-(2-methylpropyl)amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutane-1-carboxylic acid

C144H185F5N10O19 — CID 163637773

IUPAC1-[4-[cyclohexyl(2-methoxyethyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;[1-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutyl] formate;1-[4-[ethyl(oxan-4-yl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[(2-methoxy-2-methylpropyl)-(2-methylpropyl)amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutane-1-carboxylic acid
SMILESCCN(c1ccc(C2(C(=O)O)CCC2)cc1NC(=O)Cc1ccc(C)cc1F)C1CCOCC1.COC(C)(C)CN(CC(C)C)c1ccc(C2(C(=O)O)CCC2)cc1NC(=O)Cc1ccc(C)cc1F.COCCN(c1ccc(C2(C(=O)O)CCC2)cc1NC(=O)Cc1ccc(C)cc1F)C1CCCCC1.Cc1ccc(CC(=O)Nc2cc(C3(C(=O)O)CCC3)ccc2N(CC(C)C)C2CCOCC2)c(F)c1.Cc1ccc(CC(=O)Nc2cc(C3(OC=O)CCC3)ccc2N(CC(C)C)C2CCCCC2)c(F)c1
InChIInChI=1S/C30H39FN2O3.2C29H37FN2O4.C29H39FN2O4.C27H33FN2O4/c1-21(2)19-33(25-8-5-4-6-9-25)28-13-12-24(30(36-20-34)14-7-15-30)18-27(28)32-29(35)17-23-11-10-22(3)16-26(23)31;1-19(2)18-32(23-9-13-36-14-10-23)26-8-7-22(29(28(34)35)11-4-12-29)17-25(26)31-27(33)16-21-6-5-20(3)15-24(21)30;1-20-9-10-21(24(30)17-20)18-27(33)31-25-19-22(29(28(34)35)13-6-14-29)11-12-26(25)32(15-16-36-2)23-7-4-3-5-8-23;1-19(2)17-32(18-28(4,5)36-6)25-11-10-22(29(27(34)35)12-7-13-29)16-24(25)31-26(33)15-21-9-8-20(3)14-23(21)30;1-3-30(21-9-13-34-14-10-21)24-8-7-20(27(26(32)33)11-4-12-27)17-23(24)29-25(31)16-19-6-5-18(2)15-22(19)28/h10-13,16,18,20-21,25H,4-9,14-15,17,19H2,1-3H3,(H,32,35);5-8,15,17,19,23H,4,9-14,16,18H2,1-3H3,(H,31,33)(H,34,35);9-12,17,19,23H,3-8,13-16,18H2,1-2H3,(H,31,33)(H,34,35);8-11,14,16,19H,7,12-13,15,17-18H2,1-6H3,(H,31,33)(H,34,35);5-8,15,17,21H,3-4,9-14,16H2,1-2H3,(H,29,31)(H,32,33)
InChIKeyIBRARVQXIZYTAE-UHFFFAOYSA-N
MW2455.10 g/mol
LogP28.27
Rot. Bonds48

About 1-[4-[cyclohexyl(2-methoxyethyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;[1-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutyl] formate;1-[4-[ethyl(oxan-4-yl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[(2-methoxy-2-methylpropyl)-(2-methylpropyl)amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutane-1-carboxylic acid

1-[4-[cyclohexyl(2-methoxyethyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;[1-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutyl] formate;1-[4-[ethyl(oxan-4-yl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[(2-methoxy-2-methylpropyl)-(2-methylpropyl)amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutane-1-carboxylic acid (PubChem CID 163637773) has the molecular formula C144H185F5N10O19 and a molecular weight of 2455.10 g/mol. Its IUPAC name is 1-[4-[cyclohexyl(2-methoxyethyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;[1-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutyl] formate;1-[4-[ethyl(oxan-4-yl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[(2-methoxy-2-methylpropyl)-(2-methylpropyl)amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[cyclohexyl(2-methoxyethyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;[1-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutyl] formate;1-[4-[ethyl(oxan-4-yl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[(2-methoxy-2-methylpropyl)-(2-methylpropyl)amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutane-1-carboxylic acid
PubChem CID163637773
Molecular FormulaC144H185F5N10O19
Molecular Weight2455.10 g/mol
Exact Mass2453.37
IUPAC Name1-[4-[cyclohexyl(2-methoxyethyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;[1-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutyl] formate;1-[4-[ethyl(oxan-4-yl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[(2-methoxy-2-methylpropyl)-(2-methylpropyl)amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutane-1-carboxylic acid
SMILESCCN(c1ccc(C2(C(=O)O)CCC2)cc1NC(=O)Cc1ccc(C)cc1F)C1CCOCC1.COC(C)(C)CN(CC(C)C)c1ccc(C2(C(=O)O)CCC2)cc1NC(=O)Cc1ccc(C)cc1F.COCCN(c1ccc(C2(C(=O)O)CCC2)cc1NC(=O)Cc1ccc(C)cc1F)C1CCCCC1.Cc1ccc(CC(=O)Nc2cc(C3(C(=O)O)CCC3)ccc2N(CC(C)C)C2CCOCC2)c(F)c1.Cc1ccc(CC(=O)Nc2cc(C3(OC=O)CCC3)ccc2N(CC(C)C)C2CCCCC2)c(F)c1
InChIInChI=1S/C30H39FN2O3.2C29H37FN2O4.C29H39FN2O4.C27H33FN2O4/c1-21(2)19-33(25-8-5-4-6-9-25)28-13-12-24(30(36-20-34)14-7-15-30)18-27(28)32-29(35)17-23-11-10-22(3)16-26(23)31;1-19(2)18-32(23-9-13-36-14-10-23)26-8-7-22(29(28(34)35)11-4-12-29)17-25(26)31-27(33)16-21-6-5-20(3)15-24(21)30;1-20-9-10-21(24(30)17-20)18-27(33)31-25-19-22(29(28(34)35)13-6-14-29)11-12-26(25)32(15-16-36-2)23-7-4-3-5-8-23;1-19(2)17-32(18-28(4,5)36-6)25-11-10-22(29(27(34)35)12-7-13-29)16-24(25)31-26(33)15-21-9-8-20(3)14-23(21)30;1-3-30(21-9-13-34-14-10-21)24-8-7-20(27(26(32)33)11-4-12-27)17-23(24)29-25(31)16-19-6-5-18(2)15-22(19)28/h10-13,16,18,20-21,25H,4-9,14-15,17,19H2,1-3H3,(H,32,35);5-8,15,17,19,23H,4,9-14,16,18H2,1-3H3,(H,31,33)(H,34,35);9-12,17,19,23H,3-8,13-16,18H2,1-2H3,(H,31,33)(H,34,35);8-11,14,16,19H,7,12-13,15,17-18H2,1-6H3,(H,31,33)(H,34,35);5-8,15,17,21H,3-4,9-14,16H2,1-2H3,(H,29,31)(H,32,33)
InChIKeyIBRARVQXIZYTAE-UHFFFAOYSA-N
XLogP28.27
TPSA374.12 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds48
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002455.10
LogP ≤ 528.27
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-[4-[cyclohexyl(2-methoxyethyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;[1-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutyl] formate;1-[4-[ethyl(oxan-4-yl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[(2-methoxy-2-methylpropyl)-(2-methylpropyl)amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenoxy]-2-methylpropanoic acid
CID 157361275
1-[4-[bis(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;1-[4-[bis(2-methylpropyl)amino]-3-[[2-(4-methylfuran-2-yl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;1-[4-[bis(2-methylpropyl)amino]-3-[(2-pyridin-3-ylacetyl)amino]phenyl]cyclobutane-1-carboxylic acid;N-[2-[bis(2-methylpropyl)amino]-5-[1-(2H-tetrazol-5-yl)cyclobutyl]phenyl]-2-(2-fluoro-4-methylphenyl)acetamide;1-[3-[[2-(4-methylfuran-2-yl)acetyl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclopentane-1-carboxylic acid
CID 159464689
[1-[3-(2,4-difluoroanilino)-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutyl] formate
CID 153448572
[1-[3-(4-chloro-2-fluoroanilino)-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutyl] formate
CID 153448562
1-[4-[bis(2-methylpropyl)amino]-3-[[2-(2,4-difluorophenyl)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 157085316
2-[4-[bis(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenoxy]acetic acid;2-[4-[bis(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenoxy]-2-methylpropanoic acid;2-[4-[bis(2-methylpropyl)amino]-3-[[2-(4-methylfuran-2-yl)acetyl]amino]phenoxy]-2-methylpropanoic acid;2-[4-[bis(2-methylpropyl)amino]-3-[(2-pyrimidin-5-ylacetyl)amino]phenoxy]-2-methylpropanoic acid;2-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenoxy]-2-methylpropanoic acid
CID 163470079
2-[3-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-4-[cyclohexyl(2-methylpropyl)amino]phenoxy]-2-methylpropanoic acid
CID 161456900
4-[4-[bis(2-methylpropyl)amino]-3-[(2,4-difluorophenyl)carbamoylamino]phenyl]oxane-4-carboxylic acid
CID 130303120
methyl 1-[3-[(cyclopropanecarbonylamino)carbamothioylamino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclopropane-1-carboxylate
CID 137373217
methyl 2-[4-[4-[ethyl(oxan-4-yl)amino]-3-[(4-methylphenyl)carbamoylamino]phenyl]oxan-4-yl]acetate
CID 122586951
methyl 2-[4-[bis(2-methylpropyl)amino]-3-[[2-(2,4-difluorophenyl)acetyl]amino]phenoxy]-2-methylpropanoate
CID 160797418
1-[3-(3-chloroanilino)-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-(4-chloro-3-fluoroanilino)-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[(5-chloro-2-pyridinyl)amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutane-1-carboxylic acid;2-[3-(4-cyanoanilino)-4-[cyclohexyl(2-methylpropyl)amino]phenyl]acetic acid
CID 160579825

Frequently Asked Questions

What is the IUPAC name of 1-[4-[cyclohexyl(2-methoxyethyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;[1-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutyl] formate;1-[4-[ethyl(oxan-4-yl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[(2-methoxy-2-methylpropyl)-(2-methylpropyl)amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[4-[cyclohexyl(2-methoxyethyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;[1-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutyl] formate;1-[4-[ethyl(oxan-4-yl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[(2-methoxy-2-methylpropyl)-(2-methylpropyl)amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutane-1-carboxylic acid (CID 163637773) is 1-[4-[cyclohexyl(2-methoxyethyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;[1-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutyl] formate;1-[4-[ethyl(oxan-4-yl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[(2-methoxy-2-methylpropyl)-(2-methylpropyl)amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[cyclohexyl(2-methoxyethyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;[1-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutyl] formate;1-[4-[ethyl(oxan-4-yl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[(2-methoxy-2-methylpropyl)-(2-methylpropyl)amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[4-[cyclohexyl(2-methoxyethyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;[1-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutyl] formate;1-[4-[ethyl(oxan-4-yl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[(2-methoxy-2-methylpropyl)-(2-methylpropyl)amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutane-1-carboxylic acid is CCN(c1ccc(C2(C(=O)O)CCC2)cc1NC(=O)Cc1ccc(C)cc1F)C1CCOCC1.COC(C)(C)CN(CC(C)C)c1ccc(C2(C(=O)O)CCC2)cc1NC(=O)Cc1ccc(C)cc1F.COCCN(c1ccc(C2(C(=O)O)CCC2)cc1NC(=O)Cc1ccc(C)cc1F)C1CCCCC1.Cc1ccc(CC(=O)Nc2cc(C3(C(=O)O)CCC3)ccc2N(CC(C)C)C2CCOCC2)c(F)c1.Cc1ccc(CC(=O)Nc2cc(C3(OC=O)CCC3)ccc2N(CC(C)C)C2CCCCC2)c(F)c1.
What is the InChIKey of 1-[4-[cyclohexyl(2-methoxyethyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;[1-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutyl] formate;1-[4-[ethyl(oxan-4-yl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[(2-methoxy-2-methylpropyl)-(2-methylpropyl)amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutane-1-carboxylic acid?
The InChIKey is IBRARVQXIZYTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39FN2O3.2C29H37FN2O4.C29H39FN2O4.C27H33FN2O4/c1-21(2)19-33(25-8-5-4-6-9-25)28-13-12-24(30(36-20-34)14-7-15-30)18-27(28)32-29(35)17-23-11-10-22(3)16-26(23)31;1-19(2)18-32(23-9-13-36-14-10-23)26-8-7-22(29(28(34)35)11-4-12-29)17-25(26)31-27(33)16-21-6-5-20(3)15-24(21)30;1-20-9-10-21(24(30)17-20)18-27(33)31-25-19-22(29(28(34)35)13-6-14-29)11-12-26(25)32(15-16-36-2)23-7-4-3-5-8-23;1-19(2)17-32(18-28(4,5)36-6)25-11-10-22(29(27(34)35)12-7-13-29)16-24(25)31-26(33)15-21-9-8-20(3)14-23(21)30;1-3-30(21-9-13-34-14-10-21)24-8-7-20(27(26(32)33)11-4-12-27)17-23(24)29-25(31)16-19-6-5-18(2)15-22(19)28/h10-13,16,18,20-21,25H,4-9,14-15,17,19H2,1-3H3,(H,32,35);5-8,15,17,19,23H,4,9-14,16,18H2,1-3H3,(H,31,33)(H,34,35);9-12,17,19,23H,3-8,13-16,18H2,1-2H3,(H,31,33)(H,34,35);8-11,14,16,19H,7,12-13,15,17-18H2,1-6H3,(H,31,33)(H,34,35);5-8,15,17,21H,3-4,9-14,16H2,1-2H3,(H,29,31)(H,32,33).
What are the key properties of 1-[4-[cyclohexyl(2-methoxyethyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;[1-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutyl] formate;1-[4-[ethyl(oxan-4-yl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[(2-methoxy-2-methylpropyl)-(2-methylpropyl)amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutane-1-carboxylic acid?
1-[4-[cyclohexyl(2-methoxyethyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;[1-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutyl] formate;1-[4-[ethyl(oxan-4-yl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[(2-methoxy-2-methylpropyl)-(2-methylpropyl)amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutane-1-carboxylic acid has a molecular weight of 2455.10 g/mol, XLogP of 28.27, 48 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[cyclohexyl(2-methoxyethyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;[1-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutyl] formate;1-[4-[ethyl(oxan-4-yl)amino]-3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[(2-methoxy-2-methylpropyl)-(2-methylpropyl)amino]phenyl]cyclobutane-1-carboxylic acid;1-[3-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 163637773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).