N-(2-oxo-1,4-diphenylbut-3-enyl)acetamide

C18H17NO2 — CID 71375700

IUPACN-(2-oxo-1,4-diphenylbut-3-enyl)acetamide
SMILESCC(=O)NC(C(=O)C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO2/c1-14(20)19-18(16-10-6-3-7-11-16)17(21)13-12-15-8-4-2-5-9-15/h2-13,18H,1H3,(H,19,20)
InChIKeyIJAHLJYZPFZDGP-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.15
Rot. Bonds5

About N-(2-oxo-1,4-diphenylbut-3-enyl)acetamide

N-(2-oxo-1,4-diphenylbut-3-enyl)acetamide (PubChem CID 71375700) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-oxo-1,4-diphenylbut-3-enyl)acetamide.

Molecular Properties

Compound NameN-(2-oxo-1,4-diphenylbut-3-enyl)acetamide
PubChem CID71375700
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-(2-oxo-1,4-diphenylbut-3-enyl)acetamide
SMILESCC(=O)NC(C(=O)C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO2/c1-14(20)19-18(16-10-6-3-7-11-16)17(21)13-12-15-8-4-2-5-9-15/h2-13,18H,1H3,(H,19,20)
InChIKeyIJAHLJYZPFZDGP-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide
CID 11680133
2-acetamido-2-phenylethanethioic S-acid
CID 54058419
N-[(E)-5-(3-hydroxyphenyl)-2-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide
CID 71536720
N-[(1R)-3-methyl-2-oxo-1-phenylbutyl]acetamide
CID 59237081
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(E)-4-fluoro-1-phenylpent-1-en-3-one
CID 164677372
(E)-N-acetyl-N-benzhydryl-3-phenylprop-2-enamide
CID 10736922
2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 129431826
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid
CID 54019383
4-[(1E,6E)-4-[acetamido-(4-carboxyphenyl)methyl]-7-(4-carboxyphenyl)-3,5-dioxohepta-1,6-dienyl]benzoic acid
CID 89473348

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,4-diphenylbut-3-enyl)acetamide?
The IUPAC name of N-(2-oxo-1,4-diphenylbut-3-enyl)acetamide (CID 71375700) is N-(2-oxo-1,4-diphenylbut-3-enyl)acetamide.
What is the SMILES notation for N-(2-oxo-1,4-diphenylbut-3-enyl)acetamide?
The canonical SMILES for N-(2-oxo-1,4-diphenylbut-3-enyl)acetamide is CC(=O)NC(C(=O)C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-oxo-1,4-diphenylbut-3-enyl)acetamide?
The InChIKey is IJAHLJYZPFZDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-14(20)19-18(16-10-6-3-7-11-16)17(21)13-12-15-8-4-2-5-9-15/h2-13,18H,1H3,(H,19,20).
What are the key properties of N-(2-oxo-1,4-diphenylbut-3-enyl)acetamide?
N-(2-oxo-1,4-diphenylbut-3-enyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,4-diphenylbut-3-enyl)acetamide is sourced from PubChem (CID 71375700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).