N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide

C123H157N15O15 — CID 160766879

IUPACN-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
SMILESCOC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(C)cc3)Cc3ccc(CN4CCOCC4)cc32)CC1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCOCC4)cc3N2C2CCC(C(=O)NC(C)(C)CO)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCOCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCOCC4)cc3N2C2CCC(C(=O)N[C@H](C)CO)CC2)cc1
InChIInChI=1S/C32H42N4O4.C31H40N4O4.C31H40N4O3.C29H35N3O4/c1-22-4-7-24(8-5-22)30(38)33-29-19-26-9-6-23(20-35-14-16-40-17-15-35)18-28(26)36(29)27-12-10-25(11-13-27)31(39)34-32(2,3)21-37;1-21-3-6-24(7-4-21)31(38)33-29-18-26-8-5-23(19-34-13-15-39-16-14-34)17-28(26)35(29)27-11-9-25(10-12-27)30(37)32-22(2)20-36;1-21(2)32-30(36)25-10-12-27(13-11-25)35-28-18-23(20-34-14-16-38-17-15-34)6-9-26(28)19-29(35)33-31(37)24-7-4-22(3)5-8-24;1-20-3-6-22(7-4-20)28(33)30-27-18-24-8-5-21(19-31-13-15-36-16-14-31)17-26(24)32(27)25-11-9-23(10-12-25)29(34)35-2/h4-9,18,25,27,37H,10-17,19-21H2,1-3H3,(H,34,39);3-8,17,22,25,27,36H,9-16,18-20H2,1-2H3,(H,32,37);4-9,18,21,25,27H,10-17,19-20H2,1-3H3,(H,32,36);3-8,17,23,25H,9-16,18-19H2,1-2H3/b3*33-29+;30-27+/t;22-,25?,27?;;/m.1../s1
InChIKeyRYUHOKOSGVIKIJ-OFUDHFHQSA-N
MW2085.70 g/mol
LogP16.03
Rot. Bonds25

About N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide

N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide (PubChem CID 160766879) has the molecular formula C123H157N15O15 and a molecular weight of 2085.70 g/mol. Its IUPAC name is N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide.

Molecular Properties

Compound NameN-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
PubChem CID160766879
Molecular FormulaC123H157N15O15
Molecular Weight2085.70 g/mol
Exact Mass2084.20
IUPAC NameN-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
SMILESCOC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(C)cc3)Cc3ccc(CN4CCOCC4)cc32)CC1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCOCC4)cc3N2C2CCC(C(=O)NC(C)(C)CO)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCOCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCOCC4)cc3N2C2CCC(C(=O)N[C@H](C)CO)CC2)cc1
InChIInChI=1S/C32H42N4O4.C31H40N4O4.C31H40N4O3.C29H35N3O4/c1-22-4-7-24(8-5-22)30(38)33-29-19-26-9-6-23(20-35-14-16-40-17-15-35)18-28(26)36(29)27-12-10-25(11-13-27)31(39)34-32(2,3)21-37;1-21-3-6-24(7-4-21)31(38)33-29-18-26-8-5-23(19-34-13-15-39-16-14-34)17-28(26)35(29)27-11-9-25(10-12-27)30(37)32-22(2)20-36;1-21(2)32-30(36)25-10-12-27(13-11-25)35-28-18-23(20-34-14-16-38-17-15-34)6-9-26(28)19-29(35)33-31(37)24-7-4-22(3)5-8-24;1-20-3-6-22(7-4-20)28(33)30-27-18-24-8-5-21(19-31-13-15-36-16-14-31)17-26(24)32(27)25-11-9-23(10-12-25)29(34)35-2/h4-9,18,25,27,37H,10-17,19-21H2,1-3H3,(H,34,39);3-8,17,22,25,27,36H,9-16,18-20H2,1-2H3,(H,32,37);4-9,18,21,25,27H,10-17,19-20H2,1-3H3,(H,32,36);3-8,17,23,25H,9-16,18-19H2,1-2H3/b3*33-29+;30-27+/t;22-,25?,27?;;/m.1../s1
InChIKeyRYUHOKOSGVIKIJ-OFUDHFHQSA-N
XLogP16.03
TPSA334.62 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002085.70
LogP ≤ 516.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide?
The IUPAC name of N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide (CID 160766879) is N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide.
What is the SMILES notation for N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide?
The canonical SMILES for N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide is COC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(C)cc3)Cc3ccc(CN4CCOCC4)cc32)CC1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCOCC4)cc3N2C2CCC(C(=O)NC(C)(C)CO)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCOCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCOCC4)cc3N2C2CCC(C(=O)N[C@H](C)CO)CC2)cc1.
What is the InChIKey of N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide?
The InChIKey is RYUHOKOSGVIKIJ-OFUDHFHQSA-N. The full InChI is InChI=1S/C32H42N4O4.C31H40N4O4.C31H40N4O3.C29H35N3O4/c1-22-4-7-24(8-5-22)30(38)33-29-19-26-9-6-23(20-35-14-16-40-17-15-35)18-28(26)36(29)27-12-10-25(11-13-27)31(39)34-32(2,3)21-37;1-21-3-6-24(7-4-21)31(38)33-29-18-26-8-5-23(19-34-13-15-39-16-14-34)17-28(26)35(29)27-11-9-25(10-12-27)30(37)32-22(2)20-36;1-21(2)32-30(36)25-10-12-27(13-11-25)35-28-18-23(20-34-14-16-38-17-15-34)6-9-26(28)19-29(35)33-31(37)24-7-4-22(3)5-8-24;1-20-3-6-22(7-4-20)28(33)30-27-18-24-8-5-21(19-31-13-15-36-16-14-31)17-26(24)32(27)25-11-9-23(10-12-25)29(34)35-2/h4-9,18,25,27,37H,10-17,19-21H2,1-3H3,(H,34,39);3-8,17,22,25,27,36H,9-16,18-20H2,1-2H3,(H,32,37);4-9,18,21,25,27H,10-17,19-20H2,1-3H3,(H,32,36);3-8,17,23,25H,9-16,18-19H2,1-2H3/b3*33-29+;30-27+/t;22-,25?,27?;;/m.1../s1.
What are the key properties of N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide?
N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide has a molecular weight of 2085.70 g/mol, XLogP of 16.03, 25 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide is sourced from PubChem (CID 160766879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).