1-benzoyl-N,N-diethyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide

C23H28N2O3 — CID 42830442

IUPAC1-benzoyl-N,N-diethyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CN(C(=O)c2ccccc2)CC1c1cccc(OC)c1
InChIInChI=1S/C23H28N2O3/c1-4-24(5-2)23(27)21-16-25(22(26)17-10-7-6-8-11-17)15-20(21)18-12-9-13-19(14-18)28-3/h6-14,20-21H,4-5,15-16H2,1-3H3
InChIKeyOSISYEHQFDIGSP-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.42
Rot. Bonds6

About 1-benzoyl-N,N-diethyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide

1-benzoyl-N,N-diethyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 42830442) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-benzoyl-N,N-diethyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N,N-diethyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID42830442
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-benzoyl-N,N-diethyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CN(C(=O)c2ccccc2)CC1c1cccc(OC)c1
InChIInChI=1S/C23H28N2O3/c1-4-24(5-2)23(27)21-16-25(22(26)17-10-7-6-8-11-17)15-20(21)18-12-9-13-19(14-18)28-3/h6-14,20-21H,4-5,15-16H2,1-3H3
InChIKeyOSISYEHQFDIGSP-UHFFFAOYSA-N
XLogP3.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-N,N-diethyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93154389
1-benzoyl-N,N-diethyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680303
N-ethyl-1-(4-methoxybenzoyl)-4-(3-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide
CID 42830456
(3S,4S)-1-(4-chlorobenzoyl)-N,N-diethyl-4-phenylpyrrolidine-3-carboxamide
CID 93148612
(3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93150886
1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 42680866
N,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680299
(3R,4S)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 133113648
(3S,4R)-4-(3-methoxyphenyl)-1-(4-prop-2-enylbenzoyl)pyrrolidine-3-carboxylic acid
CID 70757081
N-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680858
[1-benzoyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42682036
(3S,4R)-1-benzoyl-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93150243

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N,N-diethyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-benzoyl-N,N-diethyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide (CID 42830442) is 1-benzoyl-N,N-diethyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzoyl-N,N-diethyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzoyl-N,N-diethyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide is CCN(CC)C(=O)C1CN(C(=O)c2ccccc2)CC1c1cccc(OC)c1.
What is the InChIKey of 1-benzoyl-N,N-diethyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is OSISYEHQFDIGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-4-24(5-2)23(27)21-16-25(22(26)17-10-7-6-8-11-17)15-20(21)18-12-9-13-19(14-18)28-3/h6-14,20-21H,4-5,15-16H2,1-3H3.
What are the key properties of 1-benzoyl-N,N-diethyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide?
1-benzoyl-N,N-diethyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N,N-diethyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42830442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).