1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carboxylic acid

C153H180N18O20 — CID 158283751

IUPAC1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carboxylic acid
SMILESCC(=O)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.CCOc1ccc2c(C(=O)NC3CC3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CN(C(=O)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12)C1CC1.O=C(Nc1ccc(-c2c(C(=O)NC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c(C(=O)O)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1
InChIInChI=1S/C33H40N4O4.C32H38N4O4.C30H35N3O4.C29H34N4O3.C29H33N3O5/c1-36(24-12-13-24)32(38)30-28-15-14-27(41-26-16-18-40-19-17-26)20-29(28)37(25-6-3-7-25)31(30)21-8-10-23(11-9-21)35-33(39)34-22-4-2-5-22;37-31(33-22-11-12-22)29-27-14-13-26(40-25-15-17-39-18-16-25)19-28(27)36(24-5-2-6-24)30(29)20-7-9-23(10-8-20)35-32(38)34-21-3-1-4-21;1-19(34)28-26-13-12-25(37-24-14-16-36-17-15-24)18-27(26)33(23-6-3-7-23)29(28)20-8-10-22(11-9-20)32-30(35)31-21-4-2-5-21;1-2-36-23-15-16-24-25(17-23)33(22-7-4-8-22)27(26(24)28(34)30-20-13-14-20)18-9-11-21(12-10-18)32-29(35)31-19-5-3-6-19;33-28(34)26-24-12-11-23(37-22-13-15-36-16-14-22)17-25(24)32(21-5-2-6-21)27(26)18-7-9-20(10-8-18)31-29(35)30-19-3-1-4-19/h8-11,14-15,20,22,24-26H,2-7,12-13,16-19H2,1H3,(H2,34,35,39);7-10,13-14,19,21-22,24-25H,1-6,11-12,15-18H2,(H,33,37)(H2,34,35,38);8-13,18,21,23-24H,2-7,14-17H2,1H3,(H2,31,32,35);9-12,15-17,19-20,22H,2-8,13-14H2,1H3,(H,30,34)(H2,31,32,35);7-12,17,19,21-22H,1-6,13-16H2,(H,33,34)(H2,30,31,35)
InChIKeyGKNBBLWTVKYZBJ-UHFFFAOYSA-N
MW2591.23 g/mol
LogP31.09
Rot. Bonds38

About 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carboxylic acid

1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carboxylic acid (PubChem CID 158283751) has the molecular formula C153H180N18O20 and a molecular weight of 2591.23 g/mol. Its IUPAC name is 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carboxylic acid
PubChem CID158283751
Molecular FormulaC153H180N18O20
Molecular Weight2591.23 g/mol
Exact Mass2589.36
IUPAC Name1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carboxylic acid
SMILESCC(=O)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.CCOc1ccc2c(C(=O)NC3CC3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CN(C(=O)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12)C1CC1.O=C(Nc1ccc(-c2c(C(=O)NC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c(C(=O)O)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1
InChIInChI=1S/C33H40N4O4.C32H38N4O4.C30H35N3O4.C29H34N4O3.C29H33N3O5/c1-36(24-12-13-24)32(38)30-28-15-14-27(41-26-16-18-40-19-17-26)20-29(28)37(25-6-3-7-25)31(30)21-8-10-23(11-9-21)35-33(39)34-22-4-2-5-22;37-31(33-22-11-12-22)29-27-14-13-26(40-25-15-17-39-18-16-25)19-28(27)36(24-5-2-6-24)30(29)20-7-9-23(10-8-20)35-32(38)34-21-3-1-4-21;1-19(34)28-26-13-12-25(37-24-14-16-36-17-15-24)18-27(26)33(23-6-3-7-23)29(28)20-8-10-22(11-9-20)32-30(35)31-21-4-2-5-21;1-2-36-23-15-16-24-25(17-23)33(22-7-4-8-22)27(26(24)28(34)30-20-13-14-20)18-9-11-21(12-10-18)32-29(35)31-19-5-3-6-19;33-28(34)26-24-12-11-23(37-22-13-15-36-16-14-22)17-25(24)32(21-5-2-6-21)27(26)18-7-9-20(10-8-18)31-29(35)30-19-3-1-4-19/h8-11,14-15,20,22,24-26H,2-7,12-13,16-19H2,1H3,(H2,34,35,39);7-10,13-14,19,21-22,24-25H,1-6,11-12,15-18H2,(H,33,37)(H2,34,35,38);8-13,18,21,23-24H,2-7,14-17H2,1H3,(H2,31,32,35);9-12,15-17,19-20,22H,2-8,13-14H2,1H3,(H,30,34)(H2,31,32,35);7-12,17,19,21-22H,1-6,13-16H2,(H,33,34)(H2,30,31,35)
InChIKeyGKNBBLWTVKYZBJ-UHFFFAOYSA-N
XLogP31.09
TPSA446.25 Ų
H-Bond Donors13
H-Bond Acceptors24
Rotatable Bonds38
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002591.23
LogP ≤ 531.09
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1024

Analyze 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carboxylic acid?
The IUPAC name of 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carboxylic acid (CID 158283751) is 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carboxylic acid.
What is the SMILES notation for 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carboxylic acid?
The canonical SMILES for 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carboxylic acid is CC(=O)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.CCOc1ccc2c(C(=O)NC3CC3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CN(C(=O)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12)C1CC1.O=C(Nc1ccc(-c2c(C(=O)NC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c(C(=O)O)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.
What is the InChIKey of 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carboxylic acid?
The InChIKey is GKNBBLWTVKYZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O4.C32H38N4O4.C30H35N3O4.C29H34N4O3.C29H33N3O5/c1-36(24-12-13-24)32(38)30-28-15-14-27(41-26-16-18-40-19-17-26)20-29(28)37(25-6-3-7-25)31(30)21-8-10-23(11-9-21)35-33(39)34-22-4-2-5-22;37-31(33-22-11-12-22)29-27-14-13-26(40-25-15-17-39-18-16-25)19-28(27)36(24-5-2-6-24)30(29)20-7-9-23(10-8-20)35-32(38)34-21-3-1-4-21;1-19(34)28-26-13-12-25(37-24-14-16-36-17-15-24)18-27(26)33(23-6-3-7-23)29(28)20-8-10-22(11-9-20)32-30(35)31-21-4-2-5-21;1-2-36-23-15-16-24-25(17-23)33(22-7-4-8-22)27(26(24)28(34)30-20-13-14-20)18-9-11-21(12-10-18)32-29(35)31-19-5-3-6-19;33-28(34)26-24-12-11-23(37-22-13-15-36-16-14-22)17-25(24)32(21-5-2-6-21)27(26)18-7-9-20(10-8-18)31-29(35)30-19-3-1-4-19/h8-11,14-15,20,22,24-26H,2-7,12-13,16-19H2,1H3,(H2,34,35,39);7-10,13-14,19,21-22,24-25H,1-6,11-12,15-18H2,(H,33,37)(H2,34,35,38);8-13,18,21,23-24H,2-7,14-17H2,1H3,(H2,31,32,35);9-12,15-17,19-20,22H,2-8,13-14H2,1H3,(H,30,34)(H2,31,32,35);7-12,17,19,21-22H,1-6,13-16H2,(H,33,34)(H2,30,31,35).
What are the key properties of 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carboxylic acid?
1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carboxylic acid has a molecular weight of 2591.23 g/mol, XLogP of 31.09, 38 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carboxylic acid is sourced from PubChem (CID 158283751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).