N-[1-(4-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methylideneamino]oxamide

C19H21N3O3 — CID 3250495

IUPACN-[1-(4-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methylideneamino]oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)NN=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21N3O3/c1-13-4-6-15(7-5-13)12-20-22-19(24)18(23)21-14(2)16-8-10-17(25-3)11-9-16/h4-12,14H,1-3H3,(H,21,23)(H,22,24)
InChIKeyQBFGMWMCOCVJGX-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.33
Rot. Bonds5

About N-[1-(4-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methylideneamino]oxamide

N-[1-(4-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methylideneamino]oxamide (PubChem CID 3250495) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methylideneamino]oxamide
PubChem CID3250495
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methylideneamino]oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)NN=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21N3O3/c1-13-4-6-15(7-5-13)12-20-22-19(24)18(23)21-14(2)16-8-10-17(25-3)11-9-16/h4-12,14H,1-3H3,(H,21,23)(H,22,24)
InChIKeyQBFGMWMCOCVJGX-UHFFFAOYSA-N
XLogP2.33
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.33
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

N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[1-(4-methoxyphenyl)ethyl]oxamide
CID 135411994
N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide
CID 19165293
N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 136793174
(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 93486677
2-[4-[(Z)-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989780
N'-[1-(4-methoxyphenyl)ethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108510275
N'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 3105349
N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 2590460
N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 94832391
N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 4118036
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 135699327
N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phenyl]methylideneamino]oxamide
CID 94863538

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methylideneamino]oxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methylideneamino]oxamide (CID 3250495) is N-[1-(4-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methylideneamino]oxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methylideneamino]oxamide is COc1ccc(C(C)NC(=O)C(=O)NN=Cc2ccc(C)cc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methylideneamino]oxamide?
The InChIKey is QBFGMWMCOCVJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-4-6-15(7-5-13)12-20-22-19(24)18(23)21-14(2)16-8-10-17(25-3)11-9-16/h4-12,14H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methylideneamino]oxamide?
N-[1-(4-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methylideneamino]oxamide has a molecular weight of 339.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methylideneamino]oxamide is sourced from PubChem (CID 3250495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).