4-phenyl-N-prop-2-ynylbutanamide

C13H15NO — CID 60769101

IUPAC4-phenyl-N-prop-2-ynylbutanamide
SMILESC#CCNC(=O)CCCc1ccccc1
InChIInChI=1S/C13H15NO/c1-2-11-14-13(15)10-6-9-12-7-4-3-5-8-12/h1,3-5,7-8H,6,9-11H2,(H,14,15)
InChIKeyRTYNMYARGUMOAI-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.76
Rot. Bonds5

About 4-phenyl-N-prop-2-ynylbutanamide

4-phenyl-N-prop-2-ynylbutanamide (PubChem CID 60769101) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-phenyl-N-prop-2-ynylbutanamide.

Molecular Properties

Compound Name4-phenyl-N-prop-2-ynylbutanamide
PubChem CID60769101
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name4-phenyl-N-prop-2-ynylbutanamide
SMILESC#CCNC(=O)CCCc1ccccc1
InChIInChI=1S/C13H15NO/c1-2-11-14-13(15)10-6-9-12-7-4-3-5-8-12/h1,3-5,7-8H,6,9-11H2,(H,14,15)
InChIKeyRTYNMYARGUMOAI-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.76
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

4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-pent-4-yn-2-yl-4-phenylbutanamide
CID 115661905
(Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide
CID 75364637
N-ethyl-6-phenylhexanamide
CID 70953257
2,2-dimethyl-3-(4-phenylbutanoylamino)propanoic acid
CID 81370076
N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
CID 58974296
N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide
CID 65037096
4-phenyl-N-[2-(propylamino)ethyl]butanamide
CID 62659370
1-phenyloct-7-yn-4-one
CID 105100787
6-oxo-6-(prop-2-ynylamino)hexanoic acid
CID 43529221
2-amino-4-phenyl-N-prop-2-ynylbutanamide
CID 114925050
(2S)-2-hydroxy-3-(4-phenylbutanoylamino)propanoic acid
CID 114006473

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-prop-2-ynylbutanamide?
The IUPAC name of 4-phenyl-N-prop-2-ynylbutanamide (CID 60769101) is 4-phenyl-N-prop-2-ynylbutanamide.
What is the SMILES notation for 4-phenyl-N-prop-2-ynylbutanamide?
The canonical SMILES for 4-phenyl-N-prop-2-ynylbutanamide is C#CCNC(=O)CCCc1ccccc1.
What is the InChIKey of 4-phenyl-N-prop-2-ynylbutanamide?
The InChIKey is RTYNMYARGUMOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-11-14-13(15)10-6-9-12-7-4-3-5-8-12/h1,3-5,7-8H,6,9-11H2,(H,14,15).
What are the key properties of 4-phenyl-N-prop-2-ynylbutanamide?
4-phenyl-N-prop-2-ynylbutanamide has a molecular weight of 201.27 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-prop-2-ynylbutanamide is sourced from PubChem (CID 60769101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).