2-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide

C25H30N2O3 — CID 55352067

IUPAC2-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CCCCC2C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C25H30N2O3/c1-26(17-18-11-13-20(30-2)14-12-18)24(28)21-8-4-5-9-22(21)25(29)27-16-15-19-7-3-6-10-23(19)27/h3,6-7,10-14,21-22H,4-5,8-9,15-17H2,1-2H3
InChIKeyGTXJFXIPNFJFSR-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.05
Rot. Bonds5

About 2-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide

2-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 55352067) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID55352067
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name2-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CCCCC2C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C25H30N2O3/c1-26(17-18-11-13-20(30-2)14-12-18)24(28)21-8-4-5-9-22(21)25(29)27-16-15-19-7-3-6-10-23(19)27/h3,6-7,10-14,21-22H,4-5,8-9,15-17H2,1-2H3
InChIKeyGTXJFXIPNFJFSR-UHFFFAOYSA-N
XLogP4.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 8770055
cis-(1S,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-(3,5-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 30880312
2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 46613887
N-[(4-methoxyphenyl)methyl]-N,1-dimethylpiperidine-3-carboxamide
CID 132649734
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
methyl (E)-4-[[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]but-2-enoate
CID 146095874
2-(2,3-dihydroindole-1-carbonyl)-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide
CID 55533127
N-benzyl-2-(2,3-dihydroindole-1-carbonyl)-N-ethylcyclopropane-1-carboxamide
CID 109136782
2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904110
methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 55347711
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110370754
2-(2,3-dihydroindole-1-carbonyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 51166570

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide (CID 55352067) is 2-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide is COc1ccc(CN(C)C(=O)C2CCCCC2C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 2-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is GTXJFXIPNFJFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-26(17-18-11-13-20(30-2)14-12-18)24(28)21-8-4-5-9-22(21)25(29)27-16-15-19-7-3-6-10-23(19)27/h3,6-7,10-14,21-22H,4-5,8-9,15-17H2,1-2H3.
What are the key properties of 2-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide?
2-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 55352067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).