N-(1-phenylprop-2-ynyl)acetamide

C11H11NO — CID 15014547

IUPACN-(1-phenylprop-2-ynyl)acetamide
SMILESC#CC(NC(C)=O)c1ccccc1
InChIInChI=1S/C11H11NO/c1-3-11(12-9(2)13)10-7-5-4-6-8-10/h1,4-8,11H,2H3,(H,12,13)
InChIKeyMDKARKRQSRKNGU-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.50
Rot. Bonds2

About N-(1-phenylprop-2-ynyl)acetamide

N-(1-phenylprop-2-ynyl)acetamide (PubChem CID 15014547) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is N-(1-phenylprop-2-ynyl)acetamide.

Molecular Properties

Compound NameN-(1-phenylprop-2-ynyl)acetamide
PubChem CID15014547
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC NameN-(1-phenylprop-2-ynyl)acetamide
SMILESC#CC(NC(C)=O)c1ccccc1
InChIInChI=1S/C11H11NO/c1-3-11(12-9(2)13)10-7-5-4-6-8-10/h1,4-8,11H,2H3,(H,12,13)
InChIKeyMDKARKRQSRKNGU-UHFFFAOYSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.50
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

N-[(1S)-1-phenylbut-2-ynyl]acetamide
CID 130625953
(1S)-N-methyl-1-phenylprop-2-yn-1-amine
CID 142199409
1-(2-chloroethyl)-3-(1-phenylprop-2-ynyl)urea
CID 57429817
carbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide
CID 14362564
N-[(1S)-2,2-difluoro-1-phenylethyl]acetamide
CID 129415662
2-acetamido-2-phenylethanethioic S-acid
CID 54058419
2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 122211944
(R)-2-methyl-N-[(1S)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 135086048
1-[cyano(phenyl)methyl]-3-methylurea
CID 86162991
[(R)-acetamido(phenyl)methyl]phosphonic acid
CID 18634539
N-[(1R)-3-methyl-2-oxo-1-phenylbutyl]acetamide
CID 59237081
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylprop-2-ynyl)acetamide?
The IUPAC name of N-(1-phenylprop-2-ynyl)acetamide (CID 15014547) is N-(1-phenylprop-2-ynyl)acetamide.
What is the SMILES notation for N-(1-phenylprop-2-ynyl)acetamide?
The canonical SMILES for N-(1-phenylprop-2-ynyl)acetamide is C#CC(NC(C)=O)c1ccccc1.
What is the InChIKey of N-(1-phenylprop-2-ynyl)acetamide?
The InChIKey is MDKARKRQSRKNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-3-11(12-9(2)13)10-7-5-4-6-8-10/h1,4-8,11H,2H3,(H,12,13).
What are the key properties of N-(1-phenylprop-2-ynyl)acetamide?
N-(1-phenylprop-2-ynyl)acetamide has a molecular weight of 173.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylprop-2-ynyl)acetamide is sourced from PubChem (CID 15014547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).