N-methyl-3-oxo-N-(3-phenylprop-1-enyl)butanamide

C14H17NO2 — CID 174416598

IUPACN-methyl-3-oxo-N-(3-phenylprop-1-enyl)butanamide
SMILESCC(=O)CC(=O)N(C)C=CCc1ccccc1
InChIInChI=1S/C14H17NO2/c1-12(16)11-14(17)15(2)10-6-9-13-7-4-3-5-8-13/h3-8,10H,9,11H2,1-2H3
InChIKeyYOJOQRHTGQOIAM-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.18
Rot. Bonds5

About N-methyl-3-oxo-N-(3-phenylprop-1-enyl)butanamide

N-methyl-3-oxo-N-(3-phenylprop-1-enyl)butanamide (PubChem CID 174416598) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-methyl-3-oxo-N-(3-phenylprop-1-enyl)butanamide.

Molecular Properties

Compound NameN-methyl-3-oxo-N-(3-phenylprop-1-enyl)butanamide
PubChem CID174416598
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN-methyl-3-oxo-N-(3-phenylprop-1-enyl)butanamide
SMILESCC(=O)CC(=O)N(C)C=CCc1ccccc1
InChIInChI=1S/C14H17NO2/c1-12(16)11-14(17)15(2)10-6-9-13-7-4-3-5-8-13/h3-8,10H,9,11H2,1-2H3
InChIKeyYOJOQRHTGQOIAM-UHFFFAOYSA-N
XLogP2.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-phenylprop-1-en-1-amine
CID 56975797
(2E,5E)-1-phenylhepta-2,5-dien-4-one
CID 102247041
N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
CID 54876796
[(E)-3-phenylprop-1-enyl] acetate
CID 13396779
(E)-5-[benzyl(methyl)amino]pent-4-en-2-one
CID 101461790
4-[benzyl(methyl)hydrazinylidene]pentan-2-one
CID 140633095
N-acetyl-3-oxo-N-phenylbutanamide
CID 88604895
CID 159685847
CID 159685847
3-oxo-N-phenyl-N-phenylmethoxybutanamide
CID 12589379
N,N-dimethylmethanamine;2-phenylacetaldehyde
CID 87974312
3-oxo-N-phenylbutanamide
CID 161275903
methyl hydrogen carbonate;2-phenylacetaldehyde
CID 175092622

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxo-N-(3-phenylprop-1-enyl)butanamide?
The IUPAC name of N-methyl-3-oxo-N-(3-phenylprop-1-enyl)butanamide (CID 174416598) is N-methyl-3-oxo-N-(3-phenylprop-1-enyl)butanamide.
What is the SMILES notation for N-methyl-3-oxo-N-(3-phenylprop-1-enyl)butanamide?
The canonical SMILES for N-methyl-3-oxo-N-(3-phenylprop-1-enyl)butanamide is CC(=O)CC(=O)N(C)C=CCc1ccccc1.
What is the InChIKey of N-methyl-3-oxo-N-(3-phenylprop-1-enyl)butanamide?
The InChIKey is YOJOQRHTGQOIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-12(16)11-14(17)15(2)10-6-9-13-7-4-3-5-8-13/h3-8,10H,9,11H2,1-2H3.
What are the key properties of N-methyl-3-oxo-N-(3-phenylprop-1-enyl)butanamide?
N-methyl-3-oxo-N-(3-phenylprop-1-enyl)butanamide has a molecular weight of 231.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-N-(3-phenylprop-1-enyl)butanamide is sourced from PubChem (CID 174416598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).