2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide

C20H30N2O3 — CID 51111508

IUPAC2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)NC2CCCCC2C)c(OC)c1
InChIInChI=1S/C20H30N2O3/c1-14-7-4-5-8-17(14)21-20(23)22-12-6-9-18(22)16-11-10-15(24-2)13-19(16)25-3/h10-11,13-14,17-18H,4-9,12H2,1-3H3,(H,21,23)
InChIKeyYPWKBTDVBFAZMU-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.13
Rot. Bonds4

About 2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide

2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide (PubChem CID 51111508) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide
PubChem CID51111508
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)NC2CCCCC2C)c(OC)c1
InChIInChI=1S/C20H30N2O3/c1-14-7-4-5-8-17(14)21-20(23)22-12-6-9-18(22)16-11-10-15(24-2)13-19(16)25-3/h10-11,13-14,17-18H,4-9,12H2,1-3H3,(H,21,23)
InChIKeyYPWKBTDVBFAZMU-UHFFFAOYSA-N
XLogP4.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
(2S)-N-cyclopropyl-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide
CID 9283512
N-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 60543433
(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 30238687
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(methylamino)butan-1-one
CID 119693379
methyl N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 75404379
2-(2,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide
CID 60595713
(2R)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800272
(2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
CID 39972982
(2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800271
(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636697
2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 40793133

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide (CID 51111508) is 2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide is COc1ccc(C2CCCN2C(=O)NC2CCCCC2C)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide?
The InChIKey is YPWKBTDVBFAZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14-7-4-5-8-17(14)21-20(23)22-12-6-9-18(22)16-11-10-15(24-2)13-19(16)25-3/h10-11,13-14,17-18H,4-9,12H2,1-3H3,(H,21,23).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide?
2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51111508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).