1-[3-[(2-methoxybenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide

C23H27N3O4 — CID 50815967

IUPAC1-[3-[(2-methoxybenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)C1CCCN1C(=O)c1cccc(NC(=O)c2ccccc2OC)c1
InChIInChI=1S/C23H27N3O4/c1-3-13-24-22(28)19-11-7-14-26(19)23(29)16-8-6-9-17(15-16)25-21(27)18-10-4-5-12-20(18)30-2/h4-6,8-10,12,15,19H,3,7,11,13-14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyMPYZSFMECBFAIW-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.08
Rot. Bonds7

About 1-[3-[(2-methoxybenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide

1-[3-[(2-methoxybenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide (PubChem CID 50815967) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-[3-[(2-methoxybenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-[(2-methoxybenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide
PubChem CID50815967
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name1-[3-[(2-methoxybenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)C1CCCN1C(=O)c1cccc(NC(=O)c2ccccc2OC)c1
InChIInChI=1S/C23H27N3O4/c1-3-13-24-22(28)19-11-7-14-26(19)23(29)16-8-6-9-17(15-16)25-21(27)18-10-4-5-12-20(18)30-2/h4-6,8-10,12,15,19H,3,7,11,13-14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyMPYZSFMECBFAIW-UHFFFAOYSA-N
XLogP3.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-methylbutanoylamino)benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 46375210
(2R)-1-[3-[(3-fluorobenzoyl)amino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92895040
(2S)-1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 92728389
2-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168435
1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 50815932
1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide
CID 50816123
(2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92728157
(2S)-1-(4-benzamidobenzoyl)-N-butylpyrrolidine-2-carboxamide
CID 92729968
(2S)-1-(4-benzamidobenzoyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92729848
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173
1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55966477

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methoxybenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-[(2-methoxybenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide (CID 50815967) is 1-[3-[(2-methoxybenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-[(2-methoxybenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-[(2-methoxybenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide is CCCNC(=O)C1CCCN1C(=O)c1cccc(NC(=O)c2ccccc2OC)c1.
What is the InChIKey of 1-[3-[(2-methoxybenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide?
The InChIKey is MPYZSFMECBFAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-3-13-24-22(28)19-11-7-14-26(19)23(29)16-8-6-9-17(15-16)25-21(27)18-10-4-5-12-20(18)30-2/h4-6,8-10,12,15,19H,3,7,11,13-14H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 1-[3-[(2-methoxybenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide?
1-[3-[(2-methoxybenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methoxybenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 50815967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).