N-[4-(4-acetamidobut-1-enyl)phenyl]-3-oxobutanamide

C16H20N2O3 — CID 170489616

IUPACN-[4-(4-acetamidobut-1-enyl)phenyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccc(C=CCCNC(C)=O)cc1
InChIInChI=1S/C16H20N2O3/c1-12(19)11-16(21)18-15-8-6-14(7-9-15)5-3-4-10-17-13(2)20/h3,5-9H,4,10-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyGZQOBHGDRBJUDG-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.14
Rot. Bonds7

About N-[4-(4-acetamidobut-1-enyl)phenyl]-3-oxobutanamide

N-[4-(4-acetamidobut-1-enyl)phenyl]-3-oxobutanamide (PubChem CID 170489616) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[4-(4-acetamidobut-1-enyl)phenyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[4-(4-acetamidobut-1-enyl)phenyl]-3-oxobutanamide
PubChem CID170489616
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[4-(4-acetamidobut-1-enyl)phenyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccc(C=CCCNC(C)=O)cc1
InChIInChI=1S/C16H20N2O3/c1-12(19)11-16(21)18-15-8-6-14(7-9-15)5-3-4-10-17-13(2)20/h3,5-9H,4,10-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyGZQOBHGDRBJUDG-UHFFFAOYSA-N
XLogP2.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-chlorobut-1-enyl)phenyl]-3-oxobutanamide
CID 170500064
N-[4-(4-sulfanylphenyl)but-3-enyl]acetamide
CID 170488071
N-[4-(4-ethylphenyl)but-3-enyl]acetamide
CID 170488200
N-[4-[4-(chloromethyl)phenyl]but-3-enyl]acetamide
CID 170488172
9H-fluoren-9-ylmethyl N-[4-[4-(3-oxobutanoylamino)phenyl]but-3-enyl]carbamate
CID 170493193
N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide
CID 170489043
N-[4-(4-sulfamoylphenyl)but-3-enyl]acetamide
CID 170489078
N-[4-(4-nitrophenyl)but-3-enyl]acetamide
CID 170488748
N-[4-(4-chlorobut-1-enyl)phenyl]acetamide
CID 170499596
N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide
CID 170488388
N-[4-(3-fluoro-4-methylphenyl)but-3-enyl]acetamide
CID 170488192

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidobut-1-enyl)phenyl]-3-oxobutanamide?
The IUPAC name of N-[4-(4-acetamidobut-1-enyl)phenyl]-3-oxobutanamide (CID 170489616) is N-[4-(4-acetamidobut-1-enyl)phenyl]-3-oxobutanamide.
What is the SMILES notation for N-[4-(4-acetamidobut-1-enyl)phenyl]-3-oxobutanamide?
The canonical SMILES for N-[4-(4-acetamidobut-1-enyl)phenyl]-3-oxobutanamide is CC(=O)CC(=O)Nc1ccc(C=CCCNC(C)=O)cc1.
What is the InChIKey of N-[4-(4-acetamidobut-1-enyl)phenyl]-3-oxobutanamide?
The InChIKey is GZQOBHGDRBJUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(19)11-16(21)18-15-8-6-14(7-9-15)5-3-4-10-17-13(2)20/h3,5-9H,4,10-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[4-(4-acetamidobut-1-enyl)phenyl]-3-oxobutanamide?
N-[4-(4-acetamidobut-1-enyl)phenyl]-3-oxobutanamide has a molecular weight of 288.35 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidobut-1-enyl)phenyl]-3-oxobutanamide is sourced from PubChem (CID 170489616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).