N-(2-amino-2-oxoethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide

C13H14N2O3 — CID 54921983

IUPACN-(2-amino-2-oxoethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
SMILESCN(CC(N)=O)C(=O)c1ccccc1C#CCO
InChIInChI=1S/C13H14N2O3/c1-15(9-12(14)17)13(18)11-7-3-2-5-10(11)6-4-8-16/h2-3,5,7,16H,8-9H2,1H3,(H2,14,17)
InChIKeyAFKCFFAPMVIXQL-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.41
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide

N-(2-amino-2-oxoethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide (PubChem CID 54921983) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
PubChem CID54921983
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-(2-amino-2-oxoethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
SMILESCN(CC(N)=O)C(=O)c1ccccc1C#CCO
InChIInChI=1S/C13H14N2O3/c1-15(9-12(14)17)13(18)11-7-3-2-5-10(11)6-4-8-16/h2-3,5,7,16H,8-9H2,1H3,(H2,14,17)
InChIKeyAFKCFFAPMVIXQL-UHFFFAOYSA-N
XLogP-0.41
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 60816381
N-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide
CID 107022665
N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide
CID 60821326
N-(1-cyclopropylethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 60815312
N-(1-cyanopropan-2-yl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 55175905
N-[2-(carbamoylamino)ethyl]-2-(3-hydroxyprop-1-ynyl)benzamide
CID 83115719
2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82749573
2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide
CID 54884226
N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 60816410
N-(2-amino-2-oxoethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829163
2-(4-hydroxybut-1-ynyl)-N-methyl-N-(3-methylbutyl)benzamide
CID 61429076
N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide
CID 80718993

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide (CID 54921983) is N-(2-amino-2-oxoethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide is CN(CC(N)=O)C(=O)c1ccccc1C#CCO.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide?
The InChIKey is AFKCFFAPMVIXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-15(9-12(14)17)13(18)11-7-3-2-5-10(11)6-4-8-16/h2-3,5,7,16H,8-9H2,1H3,(H2,14,17).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide?
N-(2-amino-2-oxoethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide has a molecular weight of 246.27 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide is sourced from PubChem (CID 54921983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).