N-(4-phenoxyphenyl)-N'-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide

C32H25N3O4 — CID 25251113

IUPACN-(4-phenoxyphenyl)-N'-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C32H25N3O4/c36-31(34-25-16-18-27(19-17-25)39-26-12-5-2-6-13-26)32(37)35-33-21-29-28-14-8-7-11-24(28)15-20-30(29)38-22-23-9-3-1-4-10-23/h1-21H,22H2,(H,34,36)(H,35,37)/b33-21+
InChIKeyAFQAEWVZNXZPRH-QNKGDIEWSA-N
MW515.57 g/mol
LogP6.30
Rot. Bonds8

About N-(4-phenoxyphenyl)-N'-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide

N-(4-phenoxyphenyl)-N'-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide (PubChem CID 25251113) has the molecular formula C32H25N3O4 and a molecular weight of 515.57 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-N'-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-N'-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide
PubChem CID25251113
Molecular FormulaC32H25N3O4
Molecular Weight515.57 g/mol
Exact Mass515.18
IUPAC NameN-(4-phenoxyphenyl)-N'-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C32H25N3O4/c36-31(34-25-16-18-27(19-17-25)39-26-12-5-2-6-13-26)32(37)35-33-21-29-28-14-8-7-11-24(28)15-20-30(29)38-22-23-9-3-1-4-10-23/h1-21H,22H2,(H,34,36)(H,35,37)/b33-21+
InChIKeyAFQAEWVZNXZPRH-QNKGDIEWSA-N
XLogP6.30
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.57
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 5195606
N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide
CID 8901914
N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide
CID 3675600
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 8932141
N-(4-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 3580883
[1-[[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 3827588
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]oxamide
CID 6139460
2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide
CID 29147296
N'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide
CID 8902463
N-(3,4-dimethylphenyl)-N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]oxamide
CID 8932085
1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea
CID 7346399
N-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 3911519

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-N'-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide?
The IUPAC name of N-(4-phenoxyphenyl)-N'-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide (CID 25251113) is N-(4-phenoxyphenyl)-N'-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-N'-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide?
The canonical SMILES for N-(4-phenoxyphenyl)-N'-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide is O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)-N'-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide?
The InChIKey is AFQAEWVZNXZPRH-QNKGDIEWSA-N. The full InChI is InChI=1S/C32H25N3O4/c36-31(34-25-16-18-27(19-17-25)39-26-12-5-2-6-13-26)32(37)35-33-21-29-28-14-8-7-11-24(28)15-20-30(29)38-22-23-9-3-1-4-10-23/h1-21H,22H2,(H,34,36)(H,35,37)/b33-21+.
What are the key properties of N-(4-phenoxyphenyl)-N'-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide?
N-(4-phenoxyphenyl)-N'-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide has a molecular weight of 515.57 g/mol, XLogP of 6.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-N'-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide is sourced from PubChem (CID 25251113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).