2-(2,3-dihydroindole-1-carbonyl)-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide

C25H31N3O2 — CID 55533127

IUPAC2-(2,3-dihydroindole-1-carbonyl)-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide
SMILESCN(CCNC(=O)C1CCCCC1C(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C25H31N3O2/c1-27(20-10-3-2-4-11-20)18-16-26-24(29)21-12-6-7-13-22(21)25(30)28-17-15-19-9-5-8-14-23(19)28/h2-5,8-11,14,21-22H,6-7,12-13,15-18H2,1H3,(H,26,29)
InChIKeyKYNJKIMVAODIOX-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.63
Rot. Bonds6

About 2-(2,3-dihydroindole-1-carbonyl)-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide

2-(2,3-dihydroindole-1-carbonyl)-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide (PubChem CID 55533127) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-(2,3-dihydroindole-1-carbonyl)-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindole-1-carbonyl)-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide
PubChem CID55533127
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name2-(2,3-dihydroindole-1-carbonyl)-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide
SMILESCN(CCNC(=O)C1CCCCC1C(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C25H31N3O2/c1-27(20-10-3-2-4-11-20)18-16-26-24(29)21-12-6-7-13-22(21)25(30)28-17-15-19-9-5-8-14-23(19)28/h2-5,8-11,14,21-22H,6-7,12-13,15-18H2,1H3,(H,26,29)
InChIKeyKYNJKIMVAODIOX-UHFFFAOYSA-N
XLogP3.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[2-(N-methylanilino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124524957
2-(2,3-dihydroindole-1-carbonyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 51166570
2-(2,3-dihydroindole-1-carbonyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]cyclohexane-1-carboxamide
CID 55706236
2-(2,3-dihydroindole-1-carbonyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclohexane-1-carboxamide
CID 55981073
methyl (E)-4-[[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]but-2-enoate
CID 146095874
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 39761234
2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 46613887
2-(2,3-dihydroindole-1-carbonyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 55577425
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 37426155
cis-(1S,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-(3,5-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 30880312
methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 55347711
2-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 109133165

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide (CID 55533127) is 2-(2,3-dihydroindole-1-carbonyl)-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindole-1-carbonyl)-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindole-1-carbonyl)-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide is CN(CCNC(=O)C1CCCCC1C(=O)N1CCc2ccccc21)c1ccccc1.
What is the InChIKey of 2-(2,3-dihydroindole-1-carbonyl)-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide?
The InChIKey is KYNJKIMVAODIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-27(20-10-3-2-4-11-20)18-16-26-24(29)21-12-6-7-13-22(21)25(30)28-17-15-19-9-5-8-14-23(19)28/h2-5,8-11,14,21-22H,6-7,12-13,15-18H2,1H3,(H,26,29).
What are the key properties of 2-(2,3-dihydroindole-1-carbonyl)-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide?
2-(2,3-dihydroindole-1-carbonyl)-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindole-1-carbonyl)-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 55533127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).