N-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-methylcyclohexane-1-carboxamide

C29H35N3O2 — CID 59715098

IUPACN-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)Nc2ccc3[nH]cc(-c4ccc(NC(=O)C5CCCCC5)cc4)c3c2)C1
InChIInChI=1S/C29H35N3O2/c1-19-6-5-9-22(16-19)29(34)32-24-14-15-27-25(17-24)26(18-30-27)20-10-12-23(13-11-20)31-28(33)21-7-3-2-4-8-21/h10-15,17-19,21-22,30H,2-9,16H2,1H3,(H,31,33)(H,32,34)
InChIKeyIOVQZYLNBKHJAR-UHFFFAOYSA-N
MW457.62 g/mol
LogP7.12
Rot. Bonds5

About N-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-methylcyclohexane-1-carboxamide

N-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-methylcyclohexane-1-carboxamide (PubChem CID 59715098) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-methylcyclohexane-1-carboxamide
PubChem CID59715098
Molecular FormulaC29H35N3O2
Molecular Weight457.62 g/mol
Exact Mass457.27
IUPAC NameN-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)Nc2ccc3[nH]cc(-c4ccc(NC(=O)C5CCCCC5)cc4)c3c2)C1
InChIInChI=1S/C29H35N3O2/c1-19-6-5-9-22(16-19)29(34)32-24-14-15-27-25(17-24)26(18-30-27)20-10-12-23(13-11-20)31-28(33)21-7-3-2-4-8-21/h10-15,17-19,21-22,30H,2-9,16H2,1H3,(H,31,33)(H,32,34)
InChIKeyIOVQZYLNBKHJAR-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-(2-adamantyl)-3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-5-carboxamide
CID 59715144
N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 129215411
N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane
CID 142985904
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide;propane
CID 144736513
[4-[(3-methylcyclohexanecarbonyl)amino]phenyl] thiocyanate
CID 154972346
N-[3-[4-(adamantane-2-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10074319
N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]-2-methylcyclohexane-1-carboxamide
CID 10344111
N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide
CID 112985012
3-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551532
N-(1H-indol-6-yl)cycloheptanecarboxamide
CID 154864355
N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]cyclobutanecarboxamide
CID 46081793

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-methylcyclohexane-1-carboxamide (CID 59715098) is N-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-methylcyclohexane-1-carboxamide is CC1CCCC(C(=O)Nc2ccc3[nH]cc(-c4ccc(NC(=O)C5CCCCC5)cc4)c3c2)C1.
What is the InChIKey of N-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is IOVQZYLNBKHJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2/c1-19-6-5-9-22(16-19)29(34)32-24-14-15-27-25(17-24)26(18-30-27)20-10-12-23(13-11-20)31-28(33)21-7-3-2-4-8-21/h10-15,17-19,21-22,30H,2-9,16H2,1H3,(H,31,33)(H,32,34).
What are the key properties of N-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-methylcyclohexane-1-carboxamide?
N-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-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-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 59715098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).