N'-(cyclohexylideneamino)-N-(2,4-dimethylphenyl)oxamide

C16H21N3O2 — CID 4677008

IUPACN'-(cyclohexylideneamino)-N-(2,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NN=C2CCCCC2)c(C)c1
InChIInChI=1S/C16H21N3O2/c1-11-8-9-14(12(2)10-11)17-15(20)16(21)19-18-13-6-4-3-5-7-13/h8-10H,3-7H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyAXWVLCYBBQLIND-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.68
Rot. Bonds2

About N'-(cyclohexylideneamino)-N-(2,4-dimethylphenyl)oxamide

N'-(cyclohexylideneamino)-N-(2,4-dimethylphenyl)oxamide (PubChem CID 4677008) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N'-(cyclohexylideneamino)-N-(2,4-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-(cyclohexylideneamino)-N-(2,4-dimethylphenyl)oxamide
PubChem CID4677008
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN'-(cyclohexylideneamino)-N-(2,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NN=C2CCCCC2)c(C)c1
InChIInChI=1S/C16H21N3O2/c1-11-8-9-14(12(2)10-11)17-15(20)16(21)19-18-13-6-4-3-5-7-13/h8-10H,3-7H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyAXWVLCYBBQLIND-UHFFFAOYSA-N
XLogP2.68
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.68
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'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide
CID 71902500
N-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide
CID 54786974
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
1-(cyclohexylidenemethyl)-3-(2,4-dimethylphenyl)urea
CID 108912475
N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 7033220
N-(cyclododecylideneamino)-3-methylbenzamide
CID 4110960
N'-(2,4-difluorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 44998488
N'-(2,5-dichlorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 108500949
N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108513846
N-(cyclopentylideneamino)-2-(2,5-dimethylphenoxy)acetamide
CID 921109
N-(2,4-dimethylphenyl)carbamoyl fluoride
CID 88833294
[2-[N-[[2-(2,4-dimethylanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 2-methoxybenzoate
CID 4536105

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylideneamino)-N-(2,4-dimethylphenyl)oxamide?
The IUPAC name of N'-(cyclohexylideneamino)-N-(2,4-dimethylphenyl)oxamide (CID 4677008) is N'-(cyclohexylideneamino)-N-(2,4-dimethylphenyl)oxamide.
What is the SMILES notation for N'-(cyclohexylideneamino)-N-(2,4-dimethylphenyl)oxamide?
The canonical SMILES for N'-(cyclohexylideneamino)-N-(2,4-dimethylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NN=C2CCCCC2)c(C)c1.
What is the InChIKey of N'-(cyclohexylideneamino)-N-(2,4-dimethylphenyl)oxamide?
The InChIKey is AXWVLCYBBQLIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-8-9-14(12(2)10-11)17-15(20)16(21)19-18-13-6-4-3-5-7-13/h8-10H,3-7H2,1-2H3,(H,17,20)(H,19,21).
What are the key properties of N'-(cyclohexylideneamino)-N-(2,4-dimethylphenyl)oxamide?
N'-(cyclohexylideneamino)-N-(2,4-dimethylphenyl)oxamide has a molecular weight of 287.36 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylideneamino)-N-(2,4-dimethylphenyl)oxamide is sourced from PubChem (CID 4677008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).