N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide

C21H25N3O4 — CID 8932041

IUPACN'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
SMILESCCOc1ccc(/C=N\NC(=O)C(=O)NCc2ccc(C)cc2)cc1OCC
InChIInChI=1S/C21H25N3O4/c1-4-27-18-11-10-17(12-19(18)28-5-2)14-23-24-21(26)20(25)22-13-16-8-6-15(3)7-9-16/h6-12,14H,4-5,13H2,1-3H3,(H,22,25)(H,24,26)/b23-14-
InChIKeyUZFXDWQRFNKKFV-UCQKPKSFSA-N
MW383.45 g/mol
LogP2.56
Rot. Bonds8

About N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide

N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide (PubChem CID 8932041) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
PubChem CID8932041
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
SMILESCCOc1ccc(/C=N\NC(=O)C(=O)NCc2ccc(C)cc2)cc1OCC
InChIInChI=1S/C21H25N3O4/c1-4-27-18-11-10-17(12-19(18)28-5-2)14-23-24-21(26)20(25)22-13-16-8-6-15(3)7-9-16/h6-12,14H,4-5,13H2,1-3H3,(H,22,25)(H,24,26)/b23-14-
InChIKeyUZFXDWQRFNKKFV-UCQKPKSFSA-N
XLogP2.56
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 ≤ 52.56
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-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126266405
N-[(4-chlorophenyl)methyl]-N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 8901056
N'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8902393
N'-[(Z)-[4-[2-[4-bromo-2-(trifluoromethyl)anilino]-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 126161081
N'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 8902389
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126253676
N-[(2S)-butan-2-yl]-N'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8902430
N-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide
CID 8931692
N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8899153
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8932181
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 8931669
N-benzyl-N'-[(Z)-[3-ethoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126165638

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide (CID 8932041) is N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide is CCOc1ccc(/C=N\NC(=O)C(=O)NCc2ccc(C)cc2)cc1OCC.
What is the InChIKey of N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide?
The InChIKey is UZFXDWQRFNKKFV-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-4-27-18-11-10-17(12-19(18)28-5-2)14-23-24-21(26)20(25)22-13-16-8-6-15(3)7-9-16/h6-12,14H,4-5,13H2,1-3H3,(H,22,25)(H,24,26)/b23-14-.
What are the key properties of N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide?
N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide has a molecular weight of 383.45 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 8932041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).