N-[(E)-benzylideneamino]-4-[7-(hydroxyamino)-7-oxoheptoxy]naphthalene-1-carboxamide

C25H27N3O4 — CID 23874761

IUPACN-[(E)-benzylideneamino]-4-[7-(hydroxyamino)-7-oxoheptoxy]naphthalene-1-carboxamide
SMILESO=C(CCCCCCOc1ccc(C(=O)N/N=C/c2ccccc2)c2ccccc12)NO
InChIInChI=1S/C25H27N3O4/c29-24(28-31)14-6-1-2-9-17-32-23-16-15-22(20-12-7-8-13-21(20)23)25(30)27-26-18-19-10-4-3-5-11-19/h3-5,7-8,10-13,15-16,18,31H,1-2,6,9,14,17H2,(H,27,30)(H,28,29)/b26-18+
InChIKeyGHMIQMJNVJFSLU-NLRVBDNBSA-N
MW433.51 g/mol
LogP4.44
Rot. Bonds11

About N-[(E)-benzylideneamino]-4-[7-(hydroxyamino)-7-oxoheptoxy]naphthalene-1-carboxamide

N-[(E)-benzylideneamino]-4-[7-(hydroxyamino)-7-oxoheptoxy]naphthalene-1-carboxamide (PubChem CID 23874761) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4-[7-(hydroxyamino)-7-oxoheptoxy]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-4-[7-(hydroxyamino)-7-oxoheptoxy]naphthalene-1-carboxamide
PubChem CID23874761
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[(E)-benzylideneamino]-4-[7-(hydroxyamino)-7-oxoheptoxy]naphthalene-1-carboxamide
SMILESO=C(CCCCCCOc1ccc(C(=O)N/N=C/c2ccccc2)c2ccccc12)NO
InChIInChI=1S/C25H27N3O4/c29-24(28-31)14-6-1-2-9-17-32-23-16-15-22(20-12-7-8-13-21(20)23)25(30)27-26-18-19-10-4-3-5-11-19/h3-5,7-8,10-13,15-16,18,31H,1-2,6,9,14,17H2,(H,27,30)(H,28,29)/b26-18+
InChIKeyGHMIQMJNVJFSLU-NLRVBDNBSA-N
XLogP4.44
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

4-[7-(hydroxyamino)-7-oxoheptoxy]-N-[(E)-[4-[[(2S,3S,8E)-3-(methoxymethyl)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-4-yl]methyl]phenyl]methylideneamino]naphthalene-1-carboxamide
CID 23818211
N-(benzylideneamino)-2,4-dihexoxybenzamide
CID 162378074
N-(benzylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 4115727
2-N,5-N-bis[(Z)-benzylideneamino]-3,4-diheptoxythiophene-2,5-dicarboxamide
CID 44517027
2-N,5-N-bis[(E)-benzylideneamino]-3,4-diheptoxythiophene-2,5-dicarboxamide
CID 45484478
methyl 8-[(2E)-2-benzylidenehydrazinyl]-8-oxooctanoate
CID 23864470
N-benzyl-N'-[(E)-benzylideneamino]hexanediamide
CID 56689025
N-[(E)-benzylideneamino]-2-(hydroxymethyl)benzamide
CID 138392331
7-(2-fluorophenoxy)-N-hydroxyheptanamide
CID 39357269
N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide
CID 135883129
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-4-[7-(hydroxyamino)-7-oxoheptoxy]naphthalene-1-carboxamide?
The IUPAC name of N-[(E)-benzylideneamino]-4-[7-(hydroxyamino)-7-oxoheptoxy]naphthalene-1-carboxamide (CID 23874761) is N-[(E)-benzylideneamino]-4-[7-(hydroxyamino)-7-oxoheptoxy]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-4-[7-(hydroxyamino)-7-oxoheptoxy]naphthalene-1-carboxamide?
The canonical SMILES for N-[(E)-benzylideneamino]-4-[7-(hydroxyamino)-7-oxoheptoxy]naphthalene-1-carboxamide is O=C(CCCCCCOc1ccc(C(=O)N/N=C/c2ccccc2)c2ccccc12)NO.
What is the InChIKey of N-[(E)-benzylideneamino]-4-[7-(hydroxyamino)-7-oxoheptoxy]naphthalene-1-carboxamide?
The InChIKey is GHMIQMJNVJFSLU-NLRVBDNBSA-N. The full InChI is InChI=1S/C25H27N3O4/c29-24(28-31)14-6-1-2-9-17-32-23-16-15-22(20-12-7-8-13-21(20)23)25(30)27-26-18-19-10-4-3-5-11-19/h3-5,7-8,10-13,15-16,18,31H,1-2,6,9,14,17H2,(H,27,30)(H,28,29)/b26-18+.
What are the key properties of N-[(E)-benzylideneamino]-4-[7-(hydroxyamino)-7-oxoheptoxy]naphthalene-1-carboxamide?
N-[(E)-benzylideneamino]-4-[7-(hydroxyamino)-7-oxoheptoxy]naphthalene-1-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 4.44, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-4-[7-(hydroxyamino)-7-oxoheptoxy]naphthalene-1-carboxamide is sourced from PubChem (CID 23874761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).