3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide

C15H21N3O2 — CID 102778022

IUPAC3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)C2NCCC2C)cc1
InChIInChI=1S/C15H21N3O2/c1-3-13(19)17-11-4-6-12(7-5-11)18-15(20)14-10(2)8-9-16-14/h4-7,10,14,16H,3,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyDUASONAJSRELCW-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.97
Rot. Bonds4

About 3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide

3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide (PubChem CID 102778022) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
PubChem CID102778022
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)C2NCCC2C)cc1
InChIInChI=1S/C15H21N3O2/c1-3-13(19)17-11-4-6-12(7-5-11)18-15(20)14-10(2)8-9-16-14/h4-7,10,14,16H,3,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyDUASONAJSRELCW-UHFFFAOYSA-N
XLogP1.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide
CID 107067422
3-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]butanoic acid
CID 102780012
2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 102779763
N-(4-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 55060316
3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 102778116
N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102778093
N-(4-ethylsulfonylphenyl)-3-methylpiperidine-2-carboxamide
CID 107067354
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102778343
N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777091
3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 102778074
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 102777495

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide (CID 102778022) is 3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide is CCC(=O)Nc1ccc(NC(=O)C2NCCC2C)cc1.
What is the InChIKey of 3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is DUASONAJSRELCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-13(19)17-11-4-6-12(7-5-11)18-15(20)14-10(2)8-9-16-14/h4-7,10,14,16H,3,8-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide?
3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102778022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).