N-(4-ethylphenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide

C21H25N3O4 — CID 8989089

IUPACN-(4-ethylphenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(CC)cc2)cc1OC
InChIInChI=1S/C21H25N3O4/c1-4-12-28-18-11-8-16(13-19(18)27-3)14-22-24-21(26)20(25)23-17-9-6-15(5-2)7-10-17/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,25)(H,24,26)/b22-14-
InChIKeyZPGDYRWZQSENPQ-HMAPJEAMSA-N
MW383.45 g/mol
LogP3.14
Rot. Bonds8

About N-(4-ethylphenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide

N-(4-ethylphenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide (PubChem CID 8989089) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide
PubChem CID8989089
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(4-ethylphenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(CC)cc2)cc1OC
InChIInChI=1S/C21H25N3O4/c1-4-12-28-18-11-8-16(13-19(18)27-3)14-22-24-21(26)20(25)23-17-9-6-15(5-2)7-10-17/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,25)(H,24,26)/b22-14-
InChIKeyZPGDYRWZQSENPQ-HMAPJEAMSA-N
XLogP3.14
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.14
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'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8989100
N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(4-ethylphenyl)oxamide
CID 126176314
N-ethyl-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 8989083
N-(4-butoxyphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 8900859
5-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxybenzoic acid
CID 8897925
N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide
CID 8989086
[4-[[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-propoxybenzoate
CID 3871529
[4-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-propoxybenzoate
CID 6029637
N-(4-fluorophenyl)-N'-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 4171163
N'-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8900407
1-(4-chlorophenyl)-3-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]urea
CID 110535001
N-(4-methoxyphenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 3486320

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-ethylphenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide (CID 8989089) is N-(4-ethylphenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-ethylphenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-ethylphenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide is CCCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(CC)cc2)cc1OC.
What is the InChIKey of N-(4-ethylphenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide?
The InChIKey is ZPGDYRWZQSENPQ-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-4-12-28-18-11-8-16(13-19(18)27-3)14-22-24-21(26)20(25)23-17-9-6-15(5-2)7-10-17/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,25)(H,24,26)/b22-14-.
What are the key properties of N-(4-ethylphenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide?
N-(4-ethylphenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide has a molecular weight of 383.45 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 8989089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).