N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide

C16H23N3O2 — CID 3102509

IUPACN'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide
SMILESCCCC(CCC)=NNC(=O)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H23N3O2/c1-4-6-14(7-5-2)18-19-16(21)15(20)17-13-10-8-12(3)9-11-13/h8-11H,4-7H2,1-3H3,(H,17,20)(H,19,21)
InChIKeyOXYOQFZZEQBNNI-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.01
Rot. Bonds6

About N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide

N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide (PubChem CID 3102509) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide
PubChem CID3102509
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide
SMILESCCCC(CCC)=NNC(=O)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H23N3O2/c1-4-6-14(7-5-2)18-19-16(21)15(20)17-13-10-8-12(3)9-11-13/h8-11H,4-7H2,1-3H3,(H,17,20)(H,19,21)
InChIKeyOXYOQFZZEQBNNI-UHFFFAOYSA-N
XLogP3.01
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.01
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'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide
CID 9179762
N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide
CID 9180166
(2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide
CID 101373282
N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9180162
N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 6322510
N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9155868
N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
CID 9179587
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 135574728
N-(4-methylphenyl)-N'-[(E)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide
CID 46502643
N-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide
CID 6371689
N-(4-butylphenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
CID 6068276

Frequently Asked Questions

What is the IUPAC name of N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide (CID 3102509) is N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide is CCCC(CCC)=NNC(=O)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide?
The InChIKey is OXYOQFZZEQBNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-6-14(7-5-2)18-19-16(21)15(20)17-13-10-8-12(3)9-11-13/h8-11H,4-7H2,1-3H3,(H,17,20)(H,19,21).
What are the key properties of N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide?
N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide has a molecular weight of 289.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 3102509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).