N-[4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide

C14H18N2O3 — CID 168662022

IUPACN-[4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(N2CC(CO)CC2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-10(18)15(2)12-3-5-13(6-4-12)16-8-11(9-17)7-14(16)19/h3-6,11,17H,7-9H2,1-2H3
InChIKeyGZFVSXYEEAZDON-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.01
Rot. Bonds3

About N-[4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide

N-[4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide (PubChem CID 168662022) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide
PubChem CID168662022
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(N2CC(CO)CC2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-10(18)15(2)12-3-5-13(6-4-12)16-8-11(9-17)7-14(16)19/h3-6,11,17H,7-9H2,1-2H3
InChIKeyGZFVSXYEEAZDON-UHFFFAOYSA-N
XLogP1.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide
CID 168655968
4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 168662211
methyl 1-[4-[acetyl(methyl)amino]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168693024
4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one
CID 168663581
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
methyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83726248
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one
CID 22115930
1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662678
4-(chloromethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one
CID 168507124
1-[4-(4-chlorophenoxy)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 22116043
S-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667124

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide (CID 168662022) is N-[4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(N2CC(CO)CC2=O)cc1.
What is the InChIKey of N-[4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide?
The InChIKey is GZFVSXYEEAZDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(18)15(2)12-3-5-13(6-4-12)16-8-11(9-17)7-14(16)19/h3-6,11,17H,7-9H2,1-2H3.
What are the key properties of N-[4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide?
N-[4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide has a molecular weight of 262.31 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide is sourced from PubChem (CID 168662022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).