N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide

C14H19N3O3 — CID 168659212

IUPACN-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide
SMILESCOc1cc(N2CC(CN)CC2=O)ccc1NC(C)=O
InChIInChI=1S/C14H19N3O3/c1-9(18)16-12-4-3-11(6-13(12)20-2)17-8-10(7-15)5-14(17)19/h3-4,6,10H,5,7-8,15H2,1-2H3,(H,16,18)
InChIKeySDVZEGZAJDDBIM-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.97
Rot. Bonds4

About N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide

N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide (PubChem CID 168659212) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide
PubChem CID168659212
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide
SMILESCOc1cc(N2CC(CN)CC2=O)ccc1NC(C)=O
InChIInChI=1S/C14H19N3O3/c1-9(18)16-12-4-3-11(6-13(12)20-2)17-8-10(7-15)5-14(17)19/h3-4,6,10H,5,7-8,15H2,1-2H3,(H,16,18)
InChIKeySDVZEGZAJDDBIM-UHFFFAOYSA-N
XLogP0.97
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide
CID 168503718
methyl N-[3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate
CID 168659446
N-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide
CID 168503717
methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83725126
N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-methylphenyl]acetamide
CID 168507030
methyl 4-[4-(acetylsulfanylmethyl)-2-oxopyrrolidin-1-yl]-2-methoxybenzoate
CID 168666715
N-[4-methoxy-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]phenyl]acetamide
CID 168680711
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylbenzoic acid
CID 168659844
tert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate
CID 168659109
N-[4-[[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7244467
1-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2,4-dimethoxyphenyl)urea
CID 40913293
4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one
CID 112514915

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide (CID 168659212) is N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide is COc1cc(N2CC(CN)CC2=O)ccc1NC(C)=O.
What is the InChIKey of N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide?
The InChIKey is SDVZEGZAJDDBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(18)16-12-4-3-11(6-13(12)20-2)17-8-10(7-15)5-14(17)19/h3-4,6,10H,5,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide?
N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide has a molecular weight of 277.32 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 168659212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).