N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide

C21H19N3O3 — CID 135574728

IUPACN'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccc(C)cc1)c1ccc2ccccc2c1O
InChIInChI=1S/C21H19N3O3/c1-13-7-10-16(11-8-13)22-20(26)21(27)24-23-14(2)17-12-9-15-5-3-4-6-18(15)19(17)25/h3-12,25H,1-2H3,(H,22,26)(H,24,27)/b23-14+
InChIKeySNYFDMPXUVTZQH-OEAKJJBVSA-N
MW361.40 g/mol
LogP3.33
Rot. Bonds3

About N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide

N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide (PubChem CID 135574728) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide
PubChem CID135574728
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccc(C)cc1)c1ccc2ccccc2c1O
InChIInChI=1S/C21H19N3O3/c1-13-7-10-16(11-8-13)22-20(26)21(27)24-23-14(2)17-12-9-15-5-3-4-6-18(15)19(17)25/h3-12,25H,1-2H3,(H,22,26)(H,24,27)/b23-14+
InChIKeySNYFDMPXUVTZQH-OEAKJJBVSA-N
XLogP3.33
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]ethanethioamide;N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-4-methylbenzamide;methane
CID 172984079
N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9155868
2-hydroxy-N-[(Z)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135887717
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 136739213
N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]hexanamide
CID 135601125
3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135673825
N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9179733
N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
CID 3527401
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 2558660
N-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)ethylideneamino]oxamide
CID 3377445
1-(1-hydroxynaphthalen-2-yl)-3-(4-methylphenyl)propane-1,3-dione
CID 939829
N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide
CID 3102509

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide (CID 135574728) is N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide is C/C(=N\NC(=O)C(=O)Nc1ccc(C)cc1)c1ccc2ccccc2c1O.
What is the InChIKey of N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide?
The InChIKey is SNYFDMPXUVTZQH-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-13-7-10-16(11-8-13)22-20(26)21(27)24-23-14(2)17-12-9-15-5-3-4-6-18(15)19(17)25/h3-12,25H,1-2H3,(H,22,26)(H,24,27)/b23-14+.
What are the key properties of N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide?
N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide has a molecular weight of 361.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 135574728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).