2-(2,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide

C24H32N2O4 — CID 60595713

IUPAC2-(2,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(CCC(C)NC(=O)N2CCCC2c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C24H32N2O4/c1-17(7-8-18-9-11-19(28-2)12-10-18)25-24(27)26-15-5-6-22(26)21-14-13-20(29-3)16-23(21)30-4/h9-14,16-17,22H,5-8,15H2,1-4H3,(H,25,27)
InChIKeyOBGAAJOEUZZZGV-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.58
Rot. Bonds8

About 2-(2,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide

2-(2,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 60595713) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide
PubChem CID60595713
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(CCC(C)NC(=O)N2CCCC2c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C24H32N2O4/c1-17(7-8-18-9-11-19(28-2)12-10-18)25-24(27)26-15-5-6-22(26)21-14-13-20(29-3)16-23(21)30-4/h9-14,16-17,22H,5-8,15H2,1-4H3,(H,25,27)
InChIKeyOBGAAJOEUZZZGV-UHFFFAOYSA-N
XLogP4.58
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
(2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide
CID 124830290
2-(2,4-dimethoxyphenyl)-N-[1-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 60600352
(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 30238687
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 122134394
2-amino-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120984568
2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide
CID 51111508
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-(4-aminophenyl)-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119693376
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 60503715
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide (CID 60595713) is 2-(2,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide is COc1ccc(CCC(C)NC(=O)N2CCCC2c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is OBGAAJOEUZZZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-17(7-8-18-9-11-19(28-2)12-10-18)25-24(27)26-15-5-6-22(26)21-14-13-20(29-3)16-23(21)30-4/h9-14,16-17,22H,5-8,15H2,1-4H3,(H,25,27).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide?
2-(2,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 60595713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).