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

C25H25N3O3 — CID 44621714

IUPAC6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid
SMILESO=C(O)CCCCC(=O)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c29-24(13-7-8-14-25(30)31)27-26-19-20-15-17-23(18-16-20)28(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,15-19H,7-8,13-14H2,(H,27,29)(H,30,31)/b26-19+
InChIKeyIWSWHXRCMXPVAV-LGUFXXKBSA-N
MW415.49 g/mol
LogP5.25
Rot. Bonds10

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

6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid (PubChem CID 44621714) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid
PubChem CID44621714
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid
SMILESO=C(O)CCCCC(=O)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c29-24(13-7-8-14-25(30)31)27-26-19-20-15-17-23(18-16-20)28(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,15-19H,7-8,13-14H2,(H,27,29)(H,30,31)/b26-19+
InChIKeyIWSWHXRCMXPVAV-LGUFXXKBSA-N
XLogP5.25
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide
CID 44507893
N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide
CID 58350172
7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 135777450
7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 23749398
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid
CID 23778466
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
ethyl N-[[4-(N-phenylanilino)phenyl]methylideneamino]carbamate
CID 4538267
N-[(E)-benzylideneamino]butanamide
CID 6872028
N-[[4-(diethylamino)phenyl]methylideneamino]octanamide
CID 3333467
N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide
CID 824175

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid?
The IUPAC name of 6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid (CID 44621714) is 6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid.
What is the SMILES notation for 6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid?
The canonical SMILES for 6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid is O=C(O)CCCCC(=O)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid?
The InChIKey is IWSWHXRCMXPVAV-LGUFXXKBSA-N. The full InChI is InChI=1S/C25H25N3O3/c29-24(13-7-8-14-25(30)31)27-26-19-20-15-17-23(18-16-20)28(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,15-19H,7-8,13-14H2,(H,27,29)(H,30,31)/b26-19+.
What are the key properties of 6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid?
6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid has a molecular weight of 415.49 g/mol, XLogP of 5.25, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid is sourced from PubChem (CID 44621714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).