N-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide

C21H19N3O3 — CID 5333273

IUPACN-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)cc1
InChIInChI=1S/C21H19N3O3/c1-2-27-18-12-10-17(11-13-18)23-20(25)21(26)24-22-14-16-8-5-7-15-6-3-4-9-19(15)16/h3-14H,2H2,1H3,(H,23,25)(H,24,26)/b22-14+
InChIKeySGKMVPNKXAOKKB-HYARGMPZSA-N
MW361.40 g/mol
LogP3.33
Rot. Bonds5

About N-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide

N-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide (PubChem CID 5333273) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
PubChem CID5333273
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)cc1
InChIInChI=1S/C21H19N3O3/c1-2-27-18-12-10-17(11-13-18)23-20(25)21(26)24-22-14-16-8-5-7-15-6-3-4-9-19(15)16/h3-14H,2H2,1H3,(H,23,25)(H,24,26)/b22-14+
InChIKeySGKMVPNKXAOKKB-HYARGMPZSA-N
XLogP3.33
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(4-ethoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
CID 6903251
ethyl 4-[[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 94846550
2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5421688
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4253196
N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4088877
[1-[[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 3827588
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136808223
[2-[(E)-[[2-(4-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 19661038
N-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide
CID 8898963
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 2244299
N'-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 94833446
N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide
CID 4663699

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide?
The IUPAC name of N-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide (CID 5333273) is N-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide is CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide?
The InChIKey is SGKMVPNKXAOKKB-HYARGMPZSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-2-27-18-12-10-17(11-13-18)23-20(25)21(26)24-22-14-16-8-5-7-15-6-3-4-9-19(15)16/h3-14H,2H2,1H3,(H,23,25)(H,24,26)/b22-14+.
What are the key properties of N-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide?
N-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide has a molecular weight of 361.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide is sourced from PubChem (CID 5333273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).