N'-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N-(4-methylphenyl)oxamide

C19H27N3O2 — CID 9180117

IUPACN'-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N-(4-methylphenyl)oxamide
SMILESCC(C)=CCC[C@H](C)C/C=N\NC(=O)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H27N3O2/c1-14(2)6-5-7-15(3)12-13-20-22-19(24)18(23)21-17-10-8-16(4)9-11-17/h6,8-11,13,15H,5,7,12H2,1-4H3,(H,21,23)(H,22,24)/b20-13-/t15-/m0/s1
InChIKeyUTEQWWUKNDCRLN-HYTQYMIGSA-N
MW329.44 g/mol
LogP3.81
Rot. Bonds7

About N'-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N-(4-methylphenyl)oxamide

N'-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N-(4-methylphenyl)oxamide (PubChem CID 9180117) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N'-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N-(4-methylphenyl)oxamide
PubChem CID9180117
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN'-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N-(4-methylphenyl)oxamide
SMILESCC(C)=CCC[C@H](C)C/C=N\NC(=O)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H27N3O2/c1-14(2)6-5-7-15(3)12-13-20-22-19(24)18(23)21-17-10-8-16(4)9-11-17/h6,8-11,13,15H,5,7,12H2,1-4H3,(H,21,23)(H,22,24)/b20-13-/t15-/m0/s1
InChIKeyUTEQWWUKNDCRLN-HYTQYMIGSA-N
XLogP3.81
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.81
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 88863811
N-[(Z)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9177014
N-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide
CID 9155826
N-(4-methylphenyl)-N'-(2-methylpropoxy)oxamide
CID 113304269
4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide
CID 53349566
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 136739213
N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide
CID 3102509
N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 6322510
N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
CID 9179587
N-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide
CID 9156025
4-[[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 3825243
N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 45054503

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N-(4-methylphenyl)oxamide (CID 9180117) is N'-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N-(4-methylphenyl)oxamide is CC(C)=CCC[C@H](C)C/C=N\NC(=O)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of N'-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N-(4-methylphenyl)oxamide?
The InChIKey is UTEQWWUKNDCRLN-HYTQYMIGSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)6-5-7-15(3)12-13-20-22-19(24)18(23)21-17-10-8-16(4)9-11-17/h6,8-11,13,15H,5,7,12H2,1-4H3,(H,21,23)(H,22,24)/b20-13-/t15-/m0/s1.
What are the key properties of N'-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N-(4-methylphenyl)oxamide?
N'-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N-(4-methylphenyl)oxamide has a molecular weight of 329.44 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 9180117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).