N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide

C19H21N3O3 — CID 8896208

IUPACN'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
SMILESCCCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(C)cc2)cc1
InChIInChI=1S/C19H21N3O3/c1-3-12-25-17-10-8-16(9-11-17)21-18(23)19(24)22-20-13-15-6-4-14(2)5-7-15/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)/b20-13-
InChIKeyRTYHQEXTLBWYCF-MOSHPQCFSA-N
MW339.40 g/mol
LogP2.87
Rot. Bonds6

About N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide

N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide (PubChem CID 8896208) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
PubChem CID8896208
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
SMILESCCCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(C)cc2)cc1
InChIInChI=1S/C19H21N3O3/c1-3-12-25-17-10-8-16(9-11-17)21-18(23)19(24)22-20-13-15-6-4-14(2)5-7-15/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)/b20-13-
InChIKeyRTYHQEXTLBWYCF-MOSHPQCFSA-N
XLogP2.87
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.87
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)-(4-methoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8900317
N-(4-fluorophenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988930
N-(3-methylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988901
N-(4-methylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989208
N-(4-butoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 135821329
N-(4-methylphenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 3695690
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8989100
N-(4-ethylphenyl)-N'-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126179579
[4-[[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 3255877
N-(4-butoxyphenyl)-N'-[(Z)-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126255090
N'-[(Z)-[4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126277661

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide?
The IUPAC name of N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide (CID 8896208) is N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide?
The canonical SMILES for N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide is CCCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(C)cc2)cc1.
What is the InChIKey of N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide?
The InChIKey is RTYHQEXTLBWYCF-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-12-25-17-10-8-16(9-11-17)21-18(23)19(24)22-20-13-15-6-4-14(2)5-7-15/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)/b20-13-.
What are the key properties of N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide?
N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide has a molecular weight of 339.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide is sourced from PubChem (CID 8896208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).