3-acetamido-N-prop-2-ynylbenzamide

C12H12N2O2 — CID 30601137

IUPAC3-acetamido-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C12H12N2O2/c1-3-7-13-12(16)10-5-4-6-11(8-10)14-9(2)15/h1,4-6,8H,7H2,2H3,(H,13,16)(H,14,15)
InChIKeyJGLOIVVQMWXFIL-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.01
Rot. Bonds3

About 3-acetamido-N-prop-2-ynylbenzamide

3-acetamido-N-prop-2-ynylbenzamide (PubChem CID 30601137) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-acetamido-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-prop-2-ynylbenzamide
PubChem CID30601137
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-acetamido-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C12H12N2O2/c1-3-7-13-12(16)10-5-4-6-11(8-10)14-9(2)15/h1,4-6,8H,7H2,2H3,(H,13,16)(H,14,15)
InChIKeyJGLOIVVQMWXFIL-UHFFFAOYSA-N
XLogP1.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.01
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

3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
CID 30600577
3-acetamido-N-ethylbenzamide
CID 17230670
3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875
N-ethyl-3-(prop-2-ynylamino)benzamide
CID 60681699
N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78912963
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
3-acetamido-N-(3-aminopropyl)benzamide
CID 82335696
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876
3-acetamido-N-(4-hydroxybutyl)benzamide
CID 106843063
3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81367751
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055
3-(methoxymethyl)-N-prop-2-ynylbenzamide
CID 51219689

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-prop-2-ynylbenzamide?
The IUPAC name of 3-acetamido-N-prop-2-ynylbenzamide (CID 30601137) is 3-acetamido-N-prop-2-ynylbenzamide.
What is the SMILES notation for 3-acetamido-N-prop-2-ynylbenzamide?
The canonical SMILES for 3-acetamido-N-prop-2-ynylbenzamide is C#CCNC(=O)c1cccc(NC(C)=O)c1.
What is the InChIKey of 3-acetamido-N-prop-2-ynylbenzamide?
The InChIKey is JGLOIVVQMWXFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-3-7-13-12(16)10-5-4-6-11(8-10)14-9(2)15/h1,4-6,8H,7H2,2H3,(H,13,16)(H,14,15).
What are the key properties of 3-acetamido-N-prop-2-ynylbenzamide?
3-acetamido-N-prop-2-ynylbenzamide has a molecular weight of 216.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-prop-2-ynylbenzamide is sourced from PubChem (CID 30601137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).