N-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide

C22H21N3O4 — CID 19661204

IUPACN-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)N/N=C(\C)c2cccc3ccccc23)c1
InChIInChI=1S/C22H21N3O4/c1-14(17-10-6-8-15-7-4-5-9-18(15)17)24-25-22(27)21(26)23-19-13-16(28-2)11-12-20(19)29-3/h4-13H,1-3H3,(H,23,26)(H,25,27)/b24-14+
InChIKeyJCFGILPFLDRKBP-ZVHZXABRSA-N
MW391.43 g/mol
LogP3.34
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide

N-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide (PubChem CID 19661204) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide
PubChem CID19661204
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)N/N=C(\C)c2cccc3ccccc23)c1
InChIInChI=1S/C22H21N3O4/c1-14(17-10-6-8-15-7-4-5-9-18(15)17)24-25-22(27)21(26)23-19-13-16(28-2)11-12-20(19)29-3/h4-13H,1-3H3,(H,23,26)(H,25,27)/b24-14+
InChIKeyJCFGILPFLDRKBP-ZVHZXABRSA-N
XLogP3.34
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.34
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'}

Analyze N-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]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-(2-ethylphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide
CID 19661535
N'-[1-(4-bromophenyl)ethylideneamino]-N-(2,5-dimethoxyphenyl)oxamide
CID 5048777
2-hydroxy-4-methoxy-N-[(Z)-1-naphthalen-1-ylethylideneamino]benzamide
CID 126397741
N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-(2,5-dimethoxyphenyl)oxamide
CID 6064629
N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
CID 3527401
N'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
CID 41454488
(2,5-dimethoxyphenyl)-naphthalen-1-ylmethanone
CID 146006285
4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 28668454
5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide
CID 1369979
[2-[N-[[2-(2-methoxyanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] benzoate
CID 4085294
(2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone
CID 139085652
3-hydroxy-N-(1-naphthalen-1-ylethylideneamino)naphthalene-2-carboxamide
CID 4313343

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide (CID 19661204) is N-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide is COc1ccc(OC)c(NC(=O)C(=O)N/N=C(\C)c2cccc3ccccc23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide?
The InChIKey is JCFGILPFLDRKBP-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14(17-10-6-8-15-7-4-5-9-18(15)17)24-25-22(27)21(26)23-19-13-16(28-2)11-12-20(19)29-3/h4-13H,1-3H3,(H,23,26)(H,25,27)/b24-14+.
What are the key properties of N-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide?
N-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide has a molecular weight of 391.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide is sourced from PubChem (CID 19661204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).