2-phenyl-N-prop-2-ynylpropanamide

C12H13NO — CID 104916558

IUPAC2-phenyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)c1ccccc1
InChIInChI=1S/C12H13NO/c1-3-9-13-12(14)10(2)11-7-5-4-6-8-11/h1,4-8,10H,9H2,2H3,(H,13,14)
InChIKeyNWRJYVYBVCWAEP-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.54
Rot. Bonds3

About 2-phenyl-N-prop-2-ynylpropanamide

2-phenyl-N-prop-2-ynylpropanamide (PubChem CID 104916558) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-phenyl-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-phenyl-N-prop-2-ynylpropanamide
PubChem CID104916558
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-phenyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)c1ccccc1
InChIInChI=1S/C12H13NO/c1-3-9-13-12(14)10(2)11-7-5-4-6-8-11/h1,4-8,10H,9H2,2H3,(H,13,14)
InChIKeyNWRJYVYBVCWAEP-UHFFFAOYSA-N
XLogP1.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-benzhydryl-3-prop-2-ynylurea
CID 41304336
3,3-diphenyl-N-prop-2-ynylpropanamide
CID 30600997
N-butyl-2-phenylpropanamide
CID 101453557
[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate
CID 30535420
2-anilino-N-prop-2-ynylpropanamide
CID 43112793
2-phenylsulfanyl-N-prop-2-ynylpropanamide
CID 46653085
1-[(1S)-1,2-diphenylethyl]-3-prop-2-ynylurea
CID 36512732
N-(4-chloropentyl)-2-phenylpropanamide
CID 106129293
2-hydroxy-3-(2-phenylpropanoylamino)propanamide
CID 107260947
(2S)-2-phenyl-N-sulfanylpropanamide
CID 146642681
N-but-3-ynyl-2,2-diphenylacetamide
CID 90537904
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-prop-2-ynylpropanamide?
The IUPAC name of 2-phenyl-N-prop-2-ynylpropanamide (CID 104916558) is 2-phenyl-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-phenyl-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-phenyl-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)c1ccccc1.
What is the InChIKey of 2-phenyl-N-prop-2-ynylpropanamide?
The InChIKey is NWRJYVYBVCWAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-9-13-12(14)10(2)11-7-5-4-6-8-11/h1,4-8,10H,9H2,2H3,(H,13,14).
What are the key properties of 2-phenyl-N-prop-2-ynylpropanamide?
2-phenyl-N-prop-2-ynylpropanamide has a molecular weight of 187.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 104916558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).