3-cyclohexyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]propanamide

C27H34N2O3 — CID 43003981

IUPAC3-cyclohexyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]propanamide
SMILESCOc1cccc(C(CNC(=O)CCC2CCCCC2)c2c[nH]c3ccccc23)c1OC
InChIInChI=1S/C27H34N2O3/c1-31-25-14-8-12-21(27(25)32-2)23(22-17-28-24-13-7-6-11-20(22)24)18-29-26(30)16-15-19-9-4-3-5-10-19/h6-8,11-14,17,19,23,28H,3-5,9-10,15-16,18H2,1-2H3,(H,29,30)
InChIKeyIRYYYSJKVWRZCE-UHFFFAOYSA-N
MW434.58 g/mol
LogP5.79
Rot. Bonds9

About 3-cyclohexyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]propanamide

3-cyclohexyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 43003981) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID43003981
Molecular FormulaC27H34N2O3
Molecular Weight434.58 g/mol
Exact Mass434.26
IUPAC Name3-cyclohexyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]propanamide
SMILESCOc1cccc(C(CNC(=O)CCC2CCCCC2)c2c[nH]c3ccccc23)c1OC
InChIInChI=1S/C27H34N2O3/c1-31-25-14-8-12-21(27(25)32-2)23(22-17-28-24-13-7-6-11-20(22)24)18-29-26(30)16-15-19-9-4-3-5-10-19/h6-8,11-14,17,19,23,28H,3-5,9-10,15-16,18H2,1-2H3,(H,29,30)
InChIKeyIRYYYSJKVWRZCE-UHFFFAOYSA-N
XLogP5.79
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]cyclopentanecarboxamide
CID 51158225
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]pentanamide
CID 43003960
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 55344789
4-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]butanamide;hydrochloride
CID 119267144
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119681775
1-cyclohexyl-3-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiourea
CID 46800445
ethyl N-[3-[[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]carbamate
CID 46445794
2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide
CID 55344788
2-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983696
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide
CID 60589031
3-cyclopropyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide
CID 56546466
methyl (2S)-2-[[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]propanoate
CID 8645460

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]propanamide (CID 43003981) is 3-cyclohexyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]propanamide is COc1cccc(C(CNC(=O)CCC2CCCCC2)c2c[nH]c3ccccc23)c1OC.
What is the InChIKey of 3-cyclohexyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is IRYYYSJKVWRZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3/c1-31-25-14-8-12-21(27(25)32-2)23(22-17-28-24-13-7-6-11-20(22)24)18-29-26(30)16-15-19-9-4-3-5-10-19/h6-8,11-14,17,19,23,28H,3-5,9-10,15-16,18H2,1-2H3,(H,29,30).
What are the key properties of 3-cyclohexyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]propanamide?
3-cyclohexyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 434.58 g/mol, XLogP of 5.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 43003981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).