N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide

C32H37N3O2 — CID 59715101

IUPACN-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1ccc2cc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C32H37N3O2/c36-31(22-4-2-1-3-5-22)33-27-10-8-21(9-11-27)28-17-23-6-7-24(18-29(23)34-28)32(37)35-30-25-13-19-12-20(15-25)16-26(30)14-19/h6-11,17-20,22,25-26,30,34H,1-5,12-16H2,(H,33,36)(H,35,37)
InChIKeyGKQSQWNBPBMGPV-UHFFFAOYSA-N
MW495.67 g/mol
LogP6.91
Rot. Bonds5

About N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide

N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide (PubChem CID 59715101) has the molecular formula C32H37N3O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide
PubChem CID59715101
Molecular FormulaC32H37N3O2
Molecular Weight495.67 g/mol
Exact Mass495.29
IUPAC NameN-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1ccc2cc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C32H37N3O2/c36-31(22-4-2-1-3-5-22)33-27-10-8-21(9-11-27)28-17-23-6-7-24(18-29(23)34-28)32(37)35-30-25-13-19-12-20(15-25)16-26(30)14-19/h6-11,17-20,22,25-26,30,34H,1-5,12-16H2,(H,33,36)(H,35,37)
InChIKeyGKQSQWNBPBMGPV-UHFFFAOYSA-N
XLogP6.91
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 56.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-adamantyl)-3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-5-carboxamide
CID 59715144
N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide
CID 20934546
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide
CID 71094972
N-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide
CID 59715129
N-[4-[5-(cycloheptanecarbonylamino)-1H-indol-2-yl]phenyl]adamantane-1-carboxamide
CID 10413966
N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide
CID 20740044
N-(2-adamantyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740045
N-(2-adamantyl)-2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-(2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylcyclopropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(2-phenylcyclopropyl)-3H-benzimidazole-5-carboxamide
CID 162136774
2-[4-(cyclohexanecarbonylamino)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 11407983
N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]-2-methylcyclohexane-1-carboxamide
CID 10344111
N-(4-chlorophenyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740072
N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide
CID 45216009

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide?
The IUPAC name of N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide (CID 59715101) is N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)c1ccc2cc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.
What is the InChIKey of N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide?
The InChIKey is GKQSQWNBPBMGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O2/c36-31(22-4-2-1-3-5-22)33-27-10-8-21(9-11-27)28-17-23-6-7-24(18-29(23)34-28)32(37)35-30-25-13-19-12-20(15-25)16-26(30)14-19/h6-11,17-20,22,25-26,30,34H,1-5,12-16H2,(H,33,36)(H,35,37).
What are the key properties of N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide?
N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide has a molecular weight of 495.67 g/mol, XLogP of 6.91, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 59715101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).