2-methylidene-6-[4-(N-phenylanilino)phenyl]hexanoic acid

C25H25NO2 — CID 18766696

IUPAC2-methylidene-6-[4-(N-phenylanilino)phenyl]hexanoic acid
SMILESC=C(CCCCc1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C25H25NO2/c1-20(25(27)28)10-8-9-11-21-16-18-24(19-17-21)26(22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-7,12-19H,1,8-11H2,(H,27,28)
InChIKeyWECJKXBOTHGBPM-UHFFFAOYSA-N
MW371.48 g/mol
LogP6.51
Rot. Bonds9

About 2-methylidene-6-[4-(N-phenylanilino)phenyl]hexanoic acid

2-methylidene-6-[4-(N-phenylanilino)phenyl]hexanoic acid (PubChem CID 18766696) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-methylidene-6-[4-(N-phenylanilino)phenyl]hexanoic acid.

Molecular Properties

Compound Name2-methylidene-6-[4-(N-phenylanilino)phenyl]hexanoic acid
PubChem CID18766696
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name2-methylidene-6-[4-(N-phenylanilino)phenyl]hexanoic acid
SMILESC=C(CCCCc1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C25H25NO2/c1-20(25(27)28)10-8-9-11-21-16-18-24(19-17-21)26(22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-7,12-19H,1,8-11H2,(H,27,28)
InChIKeyWECJKXBOTHGBPM-UHFFFAOYSA-N
XLogP6.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 54253232
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4-hexyl-N,N-diphenylaniline
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4-octadecyl-N,N-diphenylaniline
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6-[4-(N-phenylanilino)phenyl]hexylphosphonic acid
CID 164745604
N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
CID 89417368
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
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1,9-diphenylnonan-5-one
CID 23467830
2-methylidene-6-[3-(trifluoromethyl)phenyl]hexanoic acid
CID 142067095
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CID 70583172
9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 118901482

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-6-[4-(N-phenylanilino)phenyl]hexanoic acid?
The IUPAC name of 2-methylidene-6-[4-(N-phenylanilino)phenyl]hexanoic acid (CID 18766696) is 2-methylidene-6-[4-(N-phenylanilino)phenyl]hexanoic acid.
What is the SMILES notation for 2-methylidene-6-[4-(N-phenylanilino)phenyl]hexanoic acid?
The canonical SMILES for 2-methylidene-6-[4-(N-phenylanilino)phenyl]hexanoic acid is C=C(CCCCc1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-methylidene-6-[4-(N-phenylanilino)phenyl]hexanoic acid?
The InChIKey is WECJKXBOTHGBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-20(25(27)28)10-8-9-11-21-16-18-24(19-17-21)26(22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-7,12-19H,1,8-11H2,(H,27,28).
What are the key properties of 2-methylidene-6-[4-(N-phenylanilino)phenyl]hexanoic acid?
2-methylidene-6-[4-(N-phenylanilino)phenyl]hexanoic acid has a molecular weight of 371.48 g/mol, XLogP of 6.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6-[4-(N-phenylanilino)phenyl]hexanoic acid is sourced from PubChem (CID 18766696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).