4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide

C14H19N3O2 — CID 168659765

IUPAC4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(N2CC(CN)CC2=O)c(C)c1
InChIInChI=1S/C14H19N3O2/c1-9-5-11(14(19)16-2)3-4-12(9)17-8-10(7-15)6-13(17)18/h3-5,10H,6-8,15H2,1-2H3,(H,16,19)
InChIKeyYADFCDHGLNBCRK-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.67
Rot. Bonds3

About 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide

4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide (PubChem CID 168659765) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide
PubChem CID168659765
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(N2CC(CN)CC2=O)c(C)c1
InChIInChI=1S/C14H19N3O2/c1-9-5-11(14(19)16-2)3-4-12(9)17-8-10(7-15)6-13(17)18/h3-5,10H,6-8,15H2,1-2H3,(H,16,19)
InChIKeyYADFCDHGLNBCRK-UHFFFAOYSA-N
XLogP0.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzamide
CID 168662107
4-(aminomethyl)-1-(2-chloro-3-hydroxy-4-methylphenyl)pyrrolidin-2-one
CID 168659748
4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one
CID 168659847
1-(2-amino-3,4-dimethylphenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168659787
methyl 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-nitrobenzoate
CID 168659478
methyl 4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzoate
CID 168656653
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-fluorobenzoic acid
CID 168660594
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-bromobenzoic acid
CID 168660591
5-acetamido-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]benzoic acid
CID 168659205
(3S)-1-(4-carboxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076055
4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-methylbenzoic acid
CID 168696744
methyl 4-(4-chloro-2-oxopyrrolidin-1-yl)-3-methylbenzoate
CID 168688036

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide?
The IUPAC name of 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide (CID 168659765) is 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide is CNC(=O)c1ccc(N2CC(CN)CC2=O)c(C)c1.
What is the InChIKey of 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide?
The InChIKey is YADFCDHGLNBCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-5-11(14(19)16-2)3-4-12(9)17-8-10(7-15)6-13(17)18/h3-5,10H,6-8,15H2,1-2H3,(H,16,19).
What are the key properties of 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide?
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide has a molecular weight of 261.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide is sourced from PubChem (CID 168659765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).