N-ethyl-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzamide

C15H20N2O3 — CID 168662107

IUPACN-ethyl-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzamide
SMILESCCNC(=O)c1ccc(N2CC(CO)CC2=O)c(C)c1
InChIInChI=1S/C15H20N2O3/c1-3-16-15(20)12-4-5-13(10(2)6-12)17-8-11(9-18)7-14(17)19/h4-6,11,18H,3,7-9H2,1-2H3,(H,16,20)
InChIKeyMITSJUUHRYKGAO-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.09
Rot. Bonds4

About N-ethyl-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzamide

N-ethyl-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzamide (PubChem CID 168662107) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-ethyl-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzamide
PubChem CID168662107
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-ethyl-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzamide
SMILESCCNC(=O)c1ccc(N2CC(CO)CC2=O)c(C)c1
InChIInChI=1S/C15H20N2O3/c1-3-16-15(20)12-4-5-13(10(2)6-12)17-8-11(9-18)7-14(17)19/h4-6,11,18H,3,7-9H2,1-2H3,(H,16,20)
InChIKeyMITSJUUHRYKGAO-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-amino-2-oxopyrrolidin-1-yl)-N-ethyl-4-methylbenzamide
CID 168699250
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide
CID 168659765
N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide
CID 168512289
methyl 4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzoate
CID 168656653
methyl 3-chloro-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168662293
methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methoxybenzoate
CID 168662302
1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662051
4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide
CID 168699248
N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methylphenyl]-2-methylpropanamide
CID 168661984
(3S)-1-(4-carboxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076055
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide
CID 168662246
4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-methylbenzoic acid
CID 168696744

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzamide?
The IUPAC name of N-ethyl-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzamide (CID 168662107) is N-ethyl-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzamide.
What is the SMILES notation for N-ethyl-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzamide?
The canonical SMILES for N-ethyl-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzamide is CCNC(=O)c1ccc(N2CC(CO)CC2=O)c(C)c1.
What is the InChIKey of N-ethyl-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzamide?
The InChIKey is MITSJUUHRYKGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-16-15(20)12-4-5-13(10(2)6-12)17-8-11(9-18)7-14(17)19/h4-6,11,18H,3,7-9H2,1-2H3,(H,16,20).
What are the key properties of N-ethyl-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzamide?
N-ethyl-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzamide has a molecular weight of 276.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzamide is sourced from PubChem (CID 168662107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).