N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide

C21H25N3O2 — CID 9180166

IUPACN-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide
SMILESCCCCC/C(=N/NC(=O)C(=O)Nc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-3-4-6-11-19(17-9-7-5-8-10-17)23-24-21(26)20(25)22-18-14-12-16(2)13-15-18/h5,7-10,12-15H,3-4,6,11H2,1-2H3,(H,22,25)(H,24,26)/b23-19-
InChIKeyHGEDQUPTTPHOCY-NMWGTECJSA-N
MW351.45 g/mol
LogP4.03
Rot. Bonds7

About N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide

N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide (PubChem CID 9180166) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide
PubChem CID9180166
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide
SMILESCCCCC/C(=N/NC(=O)C(=O)Nc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-3-4-6-11-19(17-9-7-5-8-10-17)23-24-21(26)20(25)22-18-14-12-16(2)13-15-18/h5,7-10,12-15H,3-4,6,11H2,1-2H3,(H,22,25)(H,24,26)/b23-19-
InChIKeyHGEDQUPTTPHOCY-NMWGTECJSA-N
XLogP4.03
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

1-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]thiourea
CID 6131885
N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
CID 9179587
4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide
CID 3102509
1-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea
CID 6391805
[(Z)-1-(4-methylphenyl)dodecylideneamino]urea
CID 6056563
N'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide
CID 9179762
N-(1-phenylpentylideneamino)octanamide
CID 4676930
methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate
CID 127261696
3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide
CID 3326267
N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide
CID 6392223
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide?
The IUPAC name of N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide (CID 9180166) is N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide.
What is the SMILES notation for N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide?
The canonical SMILES for N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide is CCCCC/C(=N/NC(=O)C(=O)Nc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide?
The InChIKey is HGEDQUPTTPHOCY-NMWGTECJSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-4-6-11-19(17-9-7-5-8-10-17)23-24-21(26)20(25)22-18-14-12-16(2)13-15-18/h5,7-10,12-15H,3-4,6,11H2,1-2H3,(H,22,25)(H,24,26)/b23-19-.
What are the key properties of N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide?
N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide has a molecular weight of 351.45 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide is sourced from PubChem (CID 9180166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).