4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide

C13H14N2O2 — CID 18110113

IUPAC4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
SMILESC#CCNC(=O)CNC(=O)c1ccc(C)cc1
InChIInChI=1S/C13H14N2O2/c1-3-8-14-12(16)9-15-13(17)11-6-4-10(2)5-7-11/h1,4-7H,8-9H2,2H3,(H,14,16)(H,15,17)
InChIKeyYBTVTHJDKIKQOP-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.47
Rot. Bonds4

About 4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide

4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide (PubChem CID 18110113) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
PubChem CID18110113
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
SMILESC#CCNC(=O)CNC(=O)c1ccc(C)cc1
InChIInChI=1S/C13H14N2O2/c1-3-8-14-12(16)9-15-13(17)11-6-4-10(2)5-7-11/h1,4-7H,8-9H2,2H3,(H,14,16)(H,15,17)
InChIKeyYBTVTHJDKIKQOP-UHFFFAOYSA-N
XLogP0.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide
CID 18156676
N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 43389073
N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide
CID 17349905
N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 65113599
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 43360766
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940
4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide
CID 87412012
3-(diethylsulfamoyl)-4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 49396788
4-(4-ethynylphenyl)-N-prop-2-ynylbenzamide
CID 138484608
3-chloro-4-nitro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 86796144
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide (CID 18110113) is 4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide is C#CCNC(=O)CNC(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide?
The InChIKey is YBTVTHJDKIKQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-8-14-12(16)9-15-13(17)11-6-4-10(2)5-7-11/h1,4-7H,8-9H2,2H3,(H,14,16)(H,15,17).
What are the key properties of 4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide?
4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide has a molecular weight of 230.27 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide is sourced from PubChem (CID 18110113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).