N-(2-adamantyl)-3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-5-carboxamide

C32H37N3O2 — CID 59715144

IUPACN-(2-adamantyl)-3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-5-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1ccc2[nH]cc(-c3ccc(NC(=O)C4CCCCC4)cc3)c2c1
InChIInChI=1S/C32H37N3O2/c36-31(22-4-2-1-3-5-22)34-26-9-6-21(7-10-26)28-18-33-29-11-8-23(17-27(28)29)32(37)35-30-24-13-19-12-20(15-24)16-25(30)14-19/h6-11,17-20,22,24-25,30,33H,1-5,12-16H2,(H,34,36)(H,35,37)
InChIKeyVWMXPKLZWJZCAV-UHFFFAOYSA-N
MW495.67 g/mol
LogP6.91
Rot. Bonds5

About N-(2-adamantyl)-3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-5-carboxamide

N-(2-adamantyl)-3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-5-carboxamide (PubChem CID 59715144) has the molecular formula C32H37N3O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is N-(2-adamantyl)-3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-5-carboxamide
PubChem CID59715144
Molecular FormulaC32H37N3O2
Molecular Weight495.67 g/mol
Exact Mass495.29
IUPAC NameN-(2-adamantyl)-3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-5-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1ccc2[nH]cc(-c3ccc(NC(=O)C4CCCCC4)cc3)c2c1
InChIInChI=1S/C32H37N3O2/c36-31(22-4-2-1-3-5-22)34-26-9-6-21(7-10-26)28-18-33-29-11-8-23(17-27(28)29)32(37)35-30-24-13-19-12-20(15-24)16-25(30)14-19/h6-11,17-20,22,24-25,30,33H,1-5,12-16H2,(H,34,36)(H,35,37)
InChIKeyVWMXPKLZWJZCAV-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)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide
CID 59715101
N-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-methylcyclohexane-1-carboxamide
CID 59715098
N-[3-[4-(adamantane-2-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10074319
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
N-(2-adamantyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740045
N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide
CID 20740044
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide
CID 50975798
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(2-bicyclo[2.2.1]heptanyl)-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 20740008
2-[4-(cyclohexanecarbonylamino)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 11407983
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
N-(2-adamantyl)-4-phenylbenzamide
CID 3608392

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-5-carboxamide?
The IUPAC name of N-(2-adamantyl)-3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-5-carboxamide (CID 59715144) is N-(2-adamantyl)-3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-adamantyl)-3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-5-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)c1ccc2[nH]cc(-c3ccc(NC(=O)C4CCCCC4)cc3)c2c1.
What is the InChIKey of N-(2-adamantyl)-3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-5-carboxamide?
The InChIKey is VWMXPKLZWJZCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O2/c36-31(22-4-2-1-3-5-22)34-26-9-6-21(7-10-26)28-18-33-29-11-8-23(17-27(28)29)32(37)35-30-24-13-19-12-20(15-24)16-25(30)14-19/h6-11,17-20,22,24-25,30,33H,1-5,12-16H2,(H,34,36)(H,35,37).
What are the key properties of N-(2-adamantyl)-3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-5-carboxamide?
N-(2-adamantyl)-3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-5-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)-3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 59715144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).