2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide

C26H32N2O5 — CID 46613887

IUPAC2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1cc(CNC(=O)C2CCCCC2C(=O)N2CCc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C26H32N2O5/c1-31-22-14-17(15-23(32-2)24(22)33-3)16-27-25(29)19-9-5-6-10-20(19)26(30)28-13-12-18-8-4-7-11-21(18)28/h4,7-8,11,14-15,19-20H,5-6,9-10,12-13,16H2,1-3H3,(H,27,29)
InChIKeyAEZSIIPIYBOKMF-UHFFFAOYSA-N
MW452.55 g/mol
LogP3.72
Rot. Bonds7

About 2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide

2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 46613887) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is 2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID46613887
Molecular FormulaC26H32N2O5
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC Name2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1cc(CNC(=O)C2CCCCC2C(=O)N2CCc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C26H32N2O5/c1-31-22-14-17(15-23(32-2)24(22)33-3)16-27-25(29)19-9-5-6-10-20(19)26(30)28-13-12-18-8-4-7-11-21(18)28/h4,7-8,11,14-15,19-20H,5-6,9-10,12-13,16H2,1-3H3,(H,27,29)
InChIKeyAEZSIIPIYBOKMF-UHFFFAOYSA-N
XLogP3.72
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-(2,3-dihydroindole-1-carbonyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 51166570
cis-(1S,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-(3,5-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 30880312
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 113217130
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-[(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
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-(N-methylanilino)ethyl]cyclohexane-1-carboxamide
CID 55533127
methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 55347711
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111376786

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide (CID 46613887) is 2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide is COc1cc(CNC(=O)C2CCCCC2C(=O)N2CCc3ccccc32)cc(OC)c1OC.
What is the InChIKey of 2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is AEZSIIPIYBOKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O5/c1-31-22-14-17(15-23(32-2)24(22)33-3)16-27-25(29)19-9-5-6-10-20(19)26(30)28-13-12-18-8-4-7-11-21(18)28/h4,7-8,11,14-15,19-20H,5-6,9-10,12-13,16H2,1-3H3,(H,27,29).
What are the key properties of 2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide?
2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 452.55 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 46613887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).