N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide

C21H25N3O3 — CID 8931180

IUPACN'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
SMILESCCOc1ccccc1/C=N\NC(=O)C(=O)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C21H25N3O3/c1-4-27-19-8-6-5-7-18(19)14-23-24-21(26)20(25)22-13-16-9-11-17(12-10-16)15(2)3/h5-12,14-15H,4,13H2,1-3H3,(H,22,25)(H,24,26)/b23-14-
InChIKeyCDHBVJGYJRSESO-UCQKPKSFSA-N
MW367.45 g/mol
LogP2.98
Rot. Bonds7

About N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide

N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide (PubChem CID 8931180) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
PubChem CID8931180
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
SMILESCCOc1ccccc1/C=N\NC(=O)C(=O)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C21H25N3O3/c1-4-27-19-8-6-5-7-18(19)14-23-24-21(26)20(25)22-13-16-9-11-17(12-10-16)15(2)3/h5-12,14-15H,4,13H2,1-3H3,(H,22,25)(H,24,26)/b23-14-
InChIKeyCDHBVJGYJRSESO-UCQKPKSFSA-N
XLogP2.98
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.98
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

N'-[(Z)-[2-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126266702
N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126172407
N'-[(Z)-[2-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126182549
N'-[(Z)-[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126181713
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 8931669
N'-[(Z)-[2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126159735
N-[(4-chlorophenyl)methyl]-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 5073412
N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931109
2-[2-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989556
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833649
N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8899153
N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide
CID 4663699

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide?
The IUPAC name of N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide (CID 8931180) is N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide?
The canonical SMILES for N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide is CCOc1ccccc1/C=N\NC(=O)C(=O)NCc1ccc(C(C)C)cc1.
What is the InChIKey of N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide?
The InChIKey is CDHBVJGYJRSESO-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-27-19-8-6-5-7-18(19)14-23-24-21(26)20(25)22-13-16-9-11-17(12-10-16)15(2)3/h5-12,14-15H,4,13H2,1-3H3,(H,22,25)(H,24,26)/b23-14-.
What are the key properties of N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide?
N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide has a molecular weight of 367.45 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide is sourced from PubChem (CID 8931180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).