2-(2,4-dimethoxyphenyl)-N-[1-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide

C23H30N2O4 — CID 60600352

IUPAC2-(2,4-dimethoxyphenyl)-N-[1-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide
SMILESCCOc1cccc(C(C)NC(=O)N2CCCC2c2ccc(OC)cc2OC)c1
InChIInChI=1S/C23H30N2O4/c1-5-29-19-9-6-8-17(14-19)16(2)24-23(26)25-13-7-10-21(25)20-12-11-18(27-3)15-22(20)28-4/h6,8-9,11-12,14-16,21H,5,7,10,13H2,1-4H3,(H,24,26)
InChIKeyDYRXMCIBMVNEPU-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.71
Rot. Bonds7

About 2-(2,4-dimethoxyphenyl)-N-[1-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide

2-(2,4-dimethoxyphenyl)-N-[1-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 60600352) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[1-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[1-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide
PubChem CID60600352
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[1-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide
SMILESCCOc1cccc(C(C)NC(=O)N2CCCC2c2ccc(OC)cc2OC)c1
InChIInChI=1S/C23H30N2O4/c1-5-29-19-9-6-8-17(14-19)16(2)24-23(26)25-13-7-10-21(25)20-12-11-18(27-3)15-22(20)28-4/h6,8-9,11-12,14-16,21H,5,7,10,13H2,1-4H3,(H,24,26)
InChIKeyDYRXMCIBMVNEPU-UHFFFAOYSA-N
XLogP4.71
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-ethoxyphenoxy)ethanone
CID 46636671
2-(2,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide
CID 60595713
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide
CID 55799582
(2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide
CID 124830290
(2R)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800272
(2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800271
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 51255933
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 51671873
N-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87006691
(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 30238687
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 55793974

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[1-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[1-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide (CID 60600352) is 2-(2,4-dimethoxyphenyl)-N-[1-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[1-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[1-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide is CCOc1cccc(C(C)NC(=O)N2CCCC2c2ccc(OC)cc2OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[1-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is DYRXMCIBMVNEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-5-29-19-9-6-8-17(14-19)16(2)24-23(26)25-13-7-10-21(25)20-12-11-18(27-3)15-22(20)28-4/h6,8-9,11-12,14-16,21H,5,7,10,13H2,1-4H3,(H,24,26).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[1-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide?
2-(2,4-dimethoxyphenyl)-N-[1-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 398.50 g/mol, XLogP of 4.71, 7 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-[1-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 60600352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).