N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide

C21H24N4O3 — CID 6322510

IUPACN-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide
SMILESCCc1ccc(NC(=O)C(=O)N/N=C(/C)CC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H24N4O3/c1-4-16-7-11-18(12-8-16)23-20(27)21(28)25-24-15(3)13-19(26)22-17-9-5-14(2)6-10-17/h5-12H,4,13H2,1-3H3,(H,22,26)(H,23,27)(H,25,28)/b24-15-
InChIKeyZVDPIYJWTCYWEP-IWIPYMOSSA-N
MW380.45 g/mol
LogP3.02
Rot. Bonds6

About N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide

N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide (PubChem CID 6322510) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide
PubChem CID6322510
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide
SMILESCCc1ccc(NC(=O)C(=O)N/N=C(/C)CC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H24N4O3/c1-4-16-7-11-18(12-8-16)23-20(27)21(28)25-24-15(3)13-19(26)22-17-9-5-14(2)6-10-17/h5-12H,4,13H2,1-3H3,(H,22,26)(H,23,27)(H,25,28)/b24-15-
InChIKeyZVDPIYJWTCYWEP-IWIPYMOSSA-N
XLogP3.02
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.02
H-Bond Donors ≤ 53
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'-[[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide
CID 3976663
N-(4-methylphenyl)-N'-[(E)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide
CID 46502643
N-(4-methylphenyl)-N'-[[4-oxo-4-(pyridin-3-ylamino)butan-2-ylidene]amino]oxamide
CID 78460789
(3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6386610
N'-[[4-(5-chloro-2-methoxyanilino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide
CID 4085069
N'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide
CID 3489844
N'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
CID 567431
N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide
CID 3102509
N'-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-N-(4-methylphenyl)oxamide
CID 9179511
N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9180162
N'-[[4-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]-N-(2-methoxy-5-methylphenyl)oxamide
CID 4600849
N-(4-ethylphenyl)-N'-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126179579

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide?
The IUPAC name of N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide (CID 6322510) is N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide.
What is the SMILES notation for N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide?
The canonical SMILES for N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide is CCc1ccc(NC(=O)C(=O)N/N=C(/C)CC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide?
The InChIKey is ZVDPIYJWTCYWEP-IWIPYMOSSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-4-16-7-11-18(12-8-16)23-20(27)21(28)25-24-15(3)13-19(26)22-17-9-5-14(2)6-10-17/h5-12H,4,13H2,1-3H3,(H,22,26)(H,23,27)(H,25,28)/b24-15-.
What are the key properties of N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide?
N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide has a molecular weight of 380.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide is sourced from PubChem (CID 6322510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).