2-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide

C12H12N2O2 — CID 22262718

IUPAC2-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
SMILESC#CCNC(=O)Cc1ccccc1C(N)=O
InChIInChI=1S/C12H12N2O2/c1-2-7-14-11(15)8-9-5-3-4-6-10(9)12(13)16/h1,3-6H,7-8H2,(H2,13,16)(H,14,15)
InChIKeyIMNSKNZPVHSJIA-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.08
Rot. Bonds4

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

2-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide (PubChem CID 22262718) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
PubChem CID22262718
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
SMILESC#CCNC(=O)Cc1ccccc1C(N)=O
InChIInChI=1S/C12H12N2O2/c1-2-7-14-11(15)8-9-5-3-4-6-10(9)12(13)16/h1,3-6H,7-8H2,(H2,13,16)(H,14,15)
InChIKeyIMNSKNZPVHSJIA-UHFFFAOYSA-N
XLogP0.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.08
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

2-(2-aminophenyl)-N-prop-2-ynylacetamide
CID 61118028
2-(2-anilino-2-oxoethyl)benzamide
CID 173153266
2-[[(2-hydroxyacetyl)amino]methyl]benzamide
CID 173201145
2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide
CID 69088444
2-[(pent-1-yn-3-ylamino)methyl]benzamide
CID 106229276
2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 18110116
2-iodo-N-prop-2-ynylbenzamide
CID 18110013
2-(methanesulfonamidomethyl)benzamide
CID 69038851
N-prop-2-ynyl-3-(2-sulfanylphenyl)propanamide
CID 87534606
2-[2-(methylamino)ethyl]benzamide
CID 69094527
2-[2-(butanoylamino)ethyl]benzamide
CID 66868335
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylsulfanylbenzoate
CID 8841118

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide?
The IUPAC name of 2-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide (CID 22262718) is 2-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide.
What is the SMILES notation for 2-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide?
The canonical SMILES for 2-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide is C#CCNC(=O)Cc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide?
The InChIKey is IMNSKNZPVHSJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-7-14-11(15)8-9-5-3-4-6-10(9)12(13)16/h1,3-6H,7-8H2,(H2,13,16)(H,14,15).
What are the key properties of 2-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide?
2-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide has a molecular weight of 216.24 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide is sourced from PubChem (CID 22262718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).