1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide

C21H23N3O4 — CID 55966477

IUPAC1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2C(=O)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C21H23N3O4/c1-14(25)22-17-6-3-5-15(13-17)21(27)24-12-4-7-19(24)20(26)23-16-8-10-18(28-2)11-9-16/h3,5-6,8-11,13,19H,4,7,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyREHYQYIQOAZIMM-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.90
Rot. Bonds5

About 1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide

1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 55966477) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID55966477
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2C(=O)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C21H23N3O4/c1-14(25)22-17-6-3-5-15(13-17)21(27)24-12-4-7-19(24)20(26)23-16-8-10-18(28-2)11-9-16/h3,5-6,8-11,13,19H,4,7,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyREHYQYIQOAZIMM-UHFFFAOYSA-N
XLogP2.90
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173
(2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 51606138
(2R)-2-N-(4-acetamidophenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468944
(2R)-2-N-(4-acetylphenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 51426368
N-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 51152058
N-(4-methoxyphenyl)-1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)pyrrolidine-2-carboxamide
CID 55965831
2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 43814291
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
1-[6-(3-bromophenoxy)pyridine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55777770

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide (CID 55966477) is 1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide is COc1ccc(NC(=O)C2CCCN2C(=O)c2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of 1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is REHYQYIQOAZIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14(25)22-17-6-3-5-15(13-17)21(27)24-12-4-7-19(24)20(26)23-16-8-10-18(28-2)11-9-16/h3,5-6,8-11,13,19H,4,7,12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55966477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).