2-(2,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]pyrrolidine-1-carboxamide

C22H28N2O3 — CID 60551262

IUPAC2-(2,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)NCc2ccc(C)cc2C)c1
InChIInChI=1S/C22H28N2O3/c1-15-7-8-17(16(2)12-15)14-23-22(25)24-11-5-6-20(24)19-13-18(26-3)9-10-21(19)27-4/h7-10,12-13,20H,5-6,11,14H2,1-4H3,(H,23,25)
InChIKeyJWKRWMIVVIVCLA-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.37
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]pyrrolidine-1-carboxamide

2-(2,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 60551262) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID60551262
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(2,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)NCc2ccc(C)cc2C)c1
InChIInChI=1S/C22H28N2O3/c1-15-7-8-17(16(2)12-15)14-23-22(25)24-11-5-6-20(24)19-13-18(26-3)9-10-21(19)27-4/h7-10,12-13,20H,5-6,11,14H2,1-4H3,(H,23,25)
InChIKeyJWKRWMIVVIVCLA-UHFFFAOYSA-N
XLogP4.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
CID 60562617
(2R)-2-(2,5-dimethoxyphenyl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide
CID 94124370
2-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51204890
N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzamide
CID 43016179
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 55410542
1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 9194213
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856460
N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 55697171
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(2-iodo-3-methylphenyl)methanone
CID 55685739
2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 47862645
2-(2,5-dimethoxyphenyl)-N-[2-(phenoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 60543502
[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8847120

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]pyrrolidine-1-carboxamide (CID 60551262) is 2-(2,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]pyrrolidine-1-carboxamide is COc1ccc(OC)c(C2CCCN2C(=O)NCc2ccc(C)cc2C)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is JWKRWMIVVIVCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15-7-8-17(16(2)12-15)14-23-22(25)24-11-5-6-20(24)19-13-18(26-3)9-10-21(19)27-4/h7-10,12-13,20H,5-6,11,14H2,1-4H3,(H,23,25).
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]pyrrolidine-1-carboxamide?
2-(2,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 60551262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).