N-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide

C23H22N2O — CID 169466603

IUPACN-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O/c1-19(26)24-18-8-9-20-14-16-23(17-15-20)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-17H,18H2,1H3,(H,24,26)
InChIKeyQZQCBKLZEBDOPX-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.31
Rot. Bonds6

About N-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide

N-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide (PubChem CID 169466603) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide
PubChem CID169466603
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC NameN-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O/c1-19(26)24-18-8-9-20-14-16-23(17-15-20)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-17H,18H2,1H3,(H,24,26)
InChIKeyQZQCBKLZEBDOPX-UHFFFAOYSA-N
XLogP5.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide
CID 169465474
4-(3-bromoprop-1-enyl)-N,N-diphenylaniline
CID 169476559
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide
CID 169464977
methyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169465710
ethyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169466574
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
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
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
3-[4-(N-[4-(2-carboxyethenyl)phenyl]anilino)phenyl]prop-2-enoic acid
CID 123784938
ethyl 2-[4-(3-acetamidoprop-1-enyl)phenyl]-2-oxoacetate
CID 169466378

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide (CID 169466603) is N-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide?
The InChIKey is QZQCBKLZEBDOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-19(26)24-18-8-9-20-14-16-23(17-15-20)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-17H,18H2,1H3,(H,24,26).
What are the key properties of N-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide?
N-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169466603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).