N-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide

C33H34N4O3 — CID 44507893

IUPACN-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide
SMILESO=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H34N4O3/c38-31-18-12-11-17-30(31)35-32(39)19-9-1-2-10-20-33(40)36-34-25-26-21-23-29(24-22-26)37(27-13-5-3-6-14-27)28-15-7-4-8-16-28/h3-8,11-18,21-25,38H,1-2,9-10,19-20H2,(H,35,39)(H,36,40)/b34-25+
InChIKeyBNPZCXCZXNRXBW-YQCHCMBFSA-N
MW534.66 g/mol
LogP7.29
Rot. Bonds13

About N-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide

N-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide (PubChem CID 44507893) has the molecular formula C33H34N4O3 and a molecular weight of 534.66 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide
PubChem CID44507893
Molecular FormulaC33H34N4O3
Molecular Weight534.66 g/mol
Exact Mass534.26
IUPAC NameN-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide
SMILESO=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H34N4O3/c38-31-18-12-11-17-30(31)35-32(39)19-9-1-2-10-20-33(40)36-34-25-26-21-23-29(24-22-26)37(27-13-5-3-6-14-27)28-15-7-4-8-16-28/h3-8,11-18,21-25,38H,1-2,9-10,19-20H2,(H,35,39)(H,36,40)/b34-25+
InChIKeyBNPZCXCZXNRXBW-YQCHCMBFSA-N
XLogP7.29
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 57.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 23642529
6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid
CID 44621714
N'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 44506469
N'-[(E)-benzylideneamino]-N-phenyloctanediamide
CID 23863272
N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide
CID 58350172
N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide
CID 44507510
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
N-(2-hydroxyphenyl)-N'-[(E)-pent-4-enylideneamino]octanediamide
CID 44507497
5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid
CID 44507513
N-[[4-(diethylamino)phenyl]methylideneamino]octanamide
CID 3333467

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide?
The IUPAC name of N-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide (CID 44507893) is N-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide?
The canonical SMILES for N-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide is O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide?
The InChIKey is BNPZCXCZXNRXBW-YQCHCMBFSA-N. The full InChI is InChI=1S/C33H34N4O3/c38-31-18-12-11-17-30(31)35-32(39)19-9-1-2-10-20-33(40)36-34-25-26-21-23-29(24-22-26)37(27-13-5-3-6-14-27)28-15-7-4-8-16-28/h3-8,11-18,21-25,38H,1-2,9-10,19-20H2,(H,35,39)(H,36,40)/b34-25+.
What are the key properties of N-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide?
N-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide has a molecular weight of 534.66 g/mol, XLogP of 7.29, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide is sourced from PubChem (CID 44507893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).