N-(2-ethylphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide

C22H21N3O2 — CID 19661535

IUPACN-(2-ethylphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)N/N=C(\C)c1cccc2ccccc12
InChIInChI=1S/C22H21N3O2/c1-3-16-9-5-7-14-20(16)23-21(26)22(27)25-24-15(2)18-13-8-11-17-10-4-6-12-19(17)18/h4-14H,3H2,1-2H3,(H,23,26)(H,25,27)/b24-15+
InChIKeyRJEQVMUQJJUAOM-BUVRLJJBSA-N
MW359.43 g/mol
LogP3.88
Rot. Bonds4

About N-(2-ethylphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide

N-(2-ethylphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide (PubChem CID 19661535) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide
PubChem CID19661535
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(2-ethylphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)N/N=C(\C)c1cccc2ccccc12
InChIInChI=1S/C22H21N3O2/c1-3-16-9-5-7-14-20(16)23-21(26)22(27)25-24-15(2)18-13-8-11-17-10-4-6-12-19(17)18/h4-14H,3H2,1-2H3,(H,23,26)(H,25,27)/b24-15+
InChIKeyRJEQVMUQJJUAOM-BUVRLJJBSA-N
XLogP3.88
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide
CID 19661204
[2-[N-[[2-(2-ethylanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 2-nitrobenzoate
CID 5085160
N-[(Z)-1-naphthalen-1-ylethylideneamino]-2,2-diphenylacetamide
CID 126396854
(E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-2-enamide
CID 134086602
2-(4-methylphenyl)-N-[(Z)-1-naphthalen-1-ylethylideneamino]acetamide
CID 6859027
N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282
N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346
N-(2-ethoxyphenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide
CID 135615618
N-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide
CID 19660575
N-(3-chloro-2-methylphenyl)-N'-[(Z)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 126458051
3-hydroxy-N-(1-naphthalen-1-ylethylideneamino)naphthalene-2-carboxamide
CID 4313343
N-(butan-2-ylideneamino)naphthalene-1-carboxamide
CID 4560020

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide?
The IUPAC name of N-(2-ethylphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide (CID 19661535) is N-(2-ethylphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide.
What is the SMILES notation for N-(2-ethylphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide?
The canonical SMILES for N-(2-ethylphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide is CCc1ccccc1NC(=O)C(=O)N/N=C(\C)c1cccc2ccccc12.
What is the InChIKey of N-(2-ethylphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide?
The InChIKey is RJEQVMUQJJUAOM-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-3-16-9-5-7-14-20(16)23-21(26)22(27)25-24-15(2)18-13-8-11-17-10-4-6-12-19(17)18/h4-14H,3H2,1-2H3,(H,23,26)(H,25,27)/b24-15+.
What are the key properties of N-(2-ethylphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide?
N-(2-ethylphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide has a molecular weight of 359.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide is sourced from PubChem (CID 19661535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).