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

C20H23N3O2 — CID 6068276

IUPACN-(4-butylphenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)N/N=C\c2ccc(C)cc2)cc1
InChIInChI=1S/C20H23N3O2/c1-3-4-5-16-10-12-18(13-11-16)22-19(24)20(25)23-21-14-17-8-6-15(2)7-9-17/h6-14H,3-5H2,1-2H3,(H,22,24)(H,23,25)/b21-14-
InChIKeyYEIVCYPJIHYYHK-STZFKDTASA-N
MW337.42 g/mol
LogP3.43
Rot. Bonds6

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

N-(4-butylphenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide (PubChem CID 6068276) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(4-butylphenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
PubChem CID6068276
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(4-butylphenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)N/N=C\c2ccc(C)cc2)cc1
InChIInChI=1S/C20H23N3O2/c1-3-4-5-16-10-12-18(13-11-16)22-19(24)20(25)23-21-14-17-8-6-15(2)7-9-17/h6-14H,3-5H2,1-2H3,(H,22,24)(H,23,25)/b21-14-
InChIKeyYEIVCYPJIHYYHK-STZFKDTASA-N
XLogP3.43
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3329595
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-(4-methylphenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 3695690
N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8896208
N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9180162
4-[[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 3825243
N-(4-ethylphenyl)-N'-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126179579
N-(4-butoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 135821329
N'-[(Z)-(3,4-difluorophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 9180073
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
N-(4-butoxyphenyl)-N'-[(Z)-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126255090
N-(4-butoxyphenyl)-N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126269997

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-butylphenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide (CID 6068276) is N-(4-butylphenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-butylphenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-butylphenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide is CCCCc1ccc(NC(=O)C(=O)N/N=C\c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide?
The InChIKey is YEIVCYPJIHYYHK-STZFKDTASA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-4-5-16-10-12-18(13-11-16)22-19(24)20(25)23-21-14-17-8-6-15(2)7-9-17/h6-14H,3-5H2,1-2H3,(H,22,24)(H,23,25)/b21-14-.
What are the key properties of N-(4-butylphenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide?
N-(4-butylphenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide has a molecular weight of 337.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6068276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).