N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide

C18H17NO2 — CID 6366857

IUPACN-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H17NO2/c1-14(20)19(15(2)21)18-12-10-17(11-13-18)9-8-16-6-4-3-5-7-16/h3-13H,1-2H3/b9-8+
InChIKeyPXTDUKACUPYQEK-CMDGGOBGSA-N
MW279.34 g/mol
LogP3.76
Rot. Bonds3

About N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide

N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide (PubChem CID 6366857) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
PubChem CID6366857
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H17NO2/c1-14(20)19(15(2)21)18-12-10-17(11-13-18)9-8-16-6-4-3-5-7-16/h3-13H,1-2H3/b9-8+
InChIKeyPXTDUKACUPYQEK-CMDGGOBGSA-N
XLogP3.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;stilbene
CID 172803728
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
N'-methyl-N'-phenyl-N-[(E)-2-phenylethenyl]acetohydrazide
CID 101280500
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 132506208
N,N-dimethylmethanamine;stilbene
CID 174368184
1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone
CID 44557812
2-[N-acetyl-4-(N-acetyl-4-carboxyanilino)anilino]-5-[(E)-2-phenylethenyl]benzoic acid
CID 18405731
N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512
N-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide
CID 125464018
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide?
The IUPAC name of N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide (CID 6366857) is N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide.
What is the SMILES notation for N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide?
The canonical SMILES for N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide is CC(=O)N(C(C)=O)c1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide?
The InChIKey is PXTDUKACUPYQEK-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H17NO2/c1-14(20)19(15(2)21)18-12-10-17(11-13-18)9-8-16-6-4-3-5-7-16/h3-13H,1-2H3/b9-8+.
What are the key properties of N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide?
N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide is sourced from PubChem (CID 6366857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).