N-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide

C29H35N3O2 — CID 71094972

IUPACN-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide
SMILESCC1CCCCC1C(=O)Nc1ccc2cc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C29H35N3O2/c1-19-7-5-6-10-25(19)29(34)31-24-16-13-22-17-26(32-27(22)18-24)20-11-14-23(15-12-20)30-28(33)21-8-3-2-4-9-21/h11-19,21,25,32H,2-10H2,1H3,(H,30,33)(H,31,34)
InChIKeyAATSCJWFRDWILI-UHFFFAOYSA-N
MW457.62 g/mol
LogP7.12
Rot. Bonds5

About N-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide

N-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide (PubChem CID 71094972) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide
PubChem CID71094972
Molecular FormulaC29H35N3O2
Molecular Weight457.62 g/mol
Exact Mass457.27
IUPAC NameN-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide
SMILESCC1CCCCC1C(=O)Nc1ccc2cc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C29H35N3O2/c1-19-7-5-6-10-25(19)29(34)31-24-16-13-22-17-26(32-27(22)18-24)20-11-14-23(15-12-20)30-28(33)21-8-3-2-4-9-21/h11-19,21,25,32H,2-10H2,1H3,(H,30,33)(H,31,34)
InChIKeyAATSCJWFRDWILI-UHFFFAOYSA-N
XLogP7.12
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 57.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]-2-methylcyclohexane-1-carboxamide
CID 10344111
N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide
CID 20934546
2-methyl-N-[2-[4-[[2-oxo-2-(4-oxo-1-adamantyl)ethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide
CID 59715192
N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10049533
2-methyl-N-[2-[4-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide
CID 71100783
N-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide
CID 59715129
N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-3-carboxamide
CID 59715091
N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide
CID 59715101
N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide
CID 59715215
N-[4-[5-(cycloheptanecarbonylamino)-1H-indol-2-yl]phenyl]adamantane-1-carboxamide
CID 10413966
N-(1H-indol-6-yl)cycloheptanecarboxamide
CID 154864355
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10161461

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide (CID 71094972) is N-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide is CC1CCCCC1C(=O)Nc1ccc2cc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.
What is the InChIKey of N-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide?
The InChIKey is AATSCJWFRDWILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2/c1-19-7-5-6-10-25(19)29(34)31-24-16-13-22-17-26(32-27(22)18-24)20-11-14-23(15-12-20)30-28(33)21-8-3-2-4-9-21/h11-19,21,25,32H,2-10H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide?
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide has a molecular weight of 457.62 g/mol, XLogP of 7.12, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 71094972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).