4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide

C14H18N2O3 — CID 168662211

IUPAC4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N2CC(CO)CC2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-15(2)14(19)11-3-5-12(6-4-11)16-8-10(9-17)7-13(16)18/h3-6,10,17H,7-9H2,1-2H3
InChIKeyAESBYKQMHQUTRC-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.73
Rot. Bonds3

About 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide

4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide (PubChem CID 168662211) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide
PubChem CID168662211
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N2CC(CO)CC2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-15(2)14(19)11-3-5-12(6-4-11)16-8-10(9-17)7-13(16)18/h3-6,10,17H,7-9H2,1-2H3
InChIKeyAESBYKQMHQUTRC-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83726248
N,N-dimethyl-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide
CID 168708331
N-[4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide
CID 168662022
4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one
CID 168663581
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
3-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 168503934
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-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chloro-N,N-dimethylbenzamide
CID 168656199
1-[4-(4-chlorophenoxy)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 22116043
4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168664190

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide (CID 168662211) is 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N2CC(CO)CC2=O)cc1.
What is the InChIKey of 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide?
The InChIKey is AESBYKQMHQUTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15(2)14(19)11-3-5-12(6-4-11)16-8-10(9-17)7-13(16)18/h3-6,10,17H,7-9H2,1-2H3.
What are the key properties of 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide?
4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide has a molecular weight of 262.31 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 168662211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).