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

C20H29N3O3 — CID 46375210

IUPAC1-[3-(3-methylbutanoylamino)benzoyl]-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)C1CCCN1C(=O)c1cccc(NC(=O)CC(C)C)c1
InChIInChI=1S/C20H29N3O3/c1-4-10-21-19(25)17-9-6-11-23(17)20(26)15-7-5-8-16(13-15)22-18(24)12-14(2)3/h5,7-8,13-14,17H,4,6,9-12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyFNSOKSBIAXPZOK-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.80
Rot. Bonds7

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

1-[3-(3-methylbutanoylamino)benzoyl]-N-propylpyrrolidine-2-carboxamide (PubChem CID 46375210) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[3-(3-methylbutanoylamino)benzoyl]-N-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(3-methylbutanoylamino)benzoyl]-N-propylpyrrolidine-2-carboxamide
PubChem CID46375210
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-[3-(3-methylbutanoylamino)benzoyl]-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)C1CCCN1C(=O)c1cccc(NC(=O)CC(C)C)c1
InChIInChI=1S/C20H29N3O3/c1-4-10-21-19(25)17-9-6-11-23(17)20(26)15-7-5-8-16(13-15)22-18(24)12-14(2)3/h5,7-8,13-14,17H,4,6,9-12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyFNSOKSBIAXPZOK-UHFFFAOYSA-N
XLogP2.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2-methoxybenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 50815967
1-[3-[[4-oxo-4-(propylamino)butanoyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243534
(2S)-1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 92728389
N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide
CID 55873911
1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide
CID 50816123
(2R)-1-[3-[(3-fluorobenzoyl)amino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92895040
(2S)-1-[3-(benzenesulfonamido)benzoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 92728331
1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 50815932
1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355514
1-[3-[[2-(butanoylamino)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243584
N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide
CID 110931885
(2R)-N-butyl-1-[3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92728376

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylbutanoylamino)benzoyl]-N-propylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-(3-methylbutanoylamino)benzoyl]-N-propylpyrrolidine-2-carboxamide (CID 46375210) is 1-[3-(3-methylbutanoylamino)benzoyl]-N-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-(3-methylbutanoylamino)benzoyl]-N-propylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-(3-methylbutanoylamino)benzoyl]-N-propylpyrrolidine-2-carboxamide is CCCNC(=O)C1CCCN1C(=O)c1cccc(NC(=O)CC(C)C)c1.
What is the InChIKey of 1-[3-(3-methylbutanoylamino)benzoyl]-N-propylpyrrolidine-2-carboxamide?
The InChIKey is FNSOKSBIAXPZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-10-21-19(25)17-9-6-11-23(17)20(26)15-7-5-8-16(13-15)22-18(24)12-14(2)3/h5,7-8,13-14,17H,4,6,9-12H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 1-[3-(3-methylbutanoylamino)benzoyl]-N-propylpyrrolidine-2-carboxamide?
1-[3-(3-methylbutanoylamino)benzoyl]-N-propylpyrrolidine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylbutanoylamino)benzoyl]-N-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 46375210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).