N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methylphenyl]-2-methylpropanamide

C16H22N2O3 — CID 168661984

IUPACN-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1N1CC(CO)CC1=O
InChIInChI=1S/C16H22N2O3/c1-10(2)16(21)17-13-5-4-11(3)14(7-13)18-8-12(9-19)6-15(18)20/h4-5,7,10,12,19H,6,8-9H2,1-3H3,(H,17,21)
InChIKeyWSWFVHUJUSTJRE-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.93
Rot. Bonds4

About N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methylphenyl]-2-methylpropanamide

N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methylphenyl]-2-methylpropanamide (PubChem CID 168661984) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methylphenyl]-2-methylpropanamide
PubChem CID168661984
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1N1CC(CO)CC1=O
InChIInChI=1S/C16H22N2O3/c1-10(2)16(21)17-13-5-4-11(3)14(7-13)18-8-12(9-19)6-15(18)20/h4-5,7,10,12,19H,6,8-9H2,1-3H3,(H,17,21)
InChIKeyWSWFVHUJUSTJRE-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-methyl-5-(3-methylbutanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95211055
1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690553
N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methylpropanamide
CID 168506970
1-(2-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46485875
1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696156
4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one
CID 168659847
N-ethyl-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzamide
CID 168662107
1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662678
N-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 168507032
ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate
CID 168662122
1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662051
1-[2-(2-hydroxyethyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663882

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methylphenyl]-2-methylpropanamide (CID 168661984) is N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methylphenyl]-2-methylpropanamide is Cc1ccc(NC(=O)C(C)C)cc1N1CC(CO)CC1=O.
What is the InChIKey of N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methylphenyl]-2-methylpropanamide?
The InChIKey is WSWFVHUJUSTJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(2)16(21)17-13-5-4-11(3)14(7-13)18-8-12(9-19)6-15(18)20/h4-5,7,10,12,19H,6,8-9H2,1-3H3,(H,17,21).
What are the key properties of N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methylphenyl]-2-methylpropanamide?
N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methylphenyl]-2-methylpropanamide has a molecular weight of 290.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 168661984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).