1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide

C15H19N3O3 — CID 168696156

IUPAC1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(N2CC(C(N)=O)CC2=O)c1
InChIInChI=1S/C15H19N3O3/c1-3-13(19)17-11-5-4-9(2)12(7-11)18-8-10(15(16)21)6-14(18)20/h4-5,7,10H,3,6,8H2,1-2H3,(H2,16,21)(H,17,19)
InChIKeyYQLUKTFDDMCMFW-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.18
Rot. Bonds4

About 1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide

1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696156) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168696156
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(N2CC(C(N)=O)CC2=O)c1
InChIInChI=1S/C15H19N3O3/c1-3-13(19)17-11-5-4-9(2)12(7-11)18-8-10(15(16)21)6-14(18)20/h4-5,7,10H,3,6,8H2,1-2H3,(H2,16,21)(H,17,19)
InChIKeyYQLUKTFDDMCMFW-UHFFFAOYSA-N
XLogP1.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690553
(3S)-1-[2-methyl-5-(3-methylbutanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95211055
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168696830
(3R)-1-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 1079914
N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22051576
1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696708
ethyl 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874023
5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid
CID 50874012
(3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 94076368
[2-(3-chloro-4-methylanilino)-2-oxoethyl] (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 126143636
(3S)-N-(3,4-dimethylphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 719074
(3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 94675568

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 168696156) is 1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide is CCC(=O)Nc1ccc(C)c(N2CC(C(N)=O)CC2=O)c1.
What is the InChIKey of 1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YQLUKTFDDMCMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-13(19)17-11-5-4-9(2)12(7-11)18-8-10(15(16)21)6-14(18)20/h4-5,7,10H,3,6,8H2,1-2H3,(H2,16,21)(H,17,19).
What are the key properties of 1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).