N-cyclododecyl-N'-(4-methylphenyl)oxamide

C21H32N2O2 — CID 2924110

IUPACN-cyclododecyl-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC2CCCCCCCCCCC2)cc1
InChIInChI=1S/C21H32N2O2/c1-17-13-15-19(16-14-17)23-21(25)20(24)22-18-11-9-7-5-3-2-4-6-8-10-12-18/h13-16,18H,2-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyJEBXWMDTTKDHBI-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.72
Rot. Bonds2

About N-cyclododecyl-N'-(4-methylphenyl)oxamide

N-cyclododecyl-N'-(4-methylphenyl)oxamide (PubChem CID 2924110) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-cyclododecyl-N'-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-cyclododecyl-N'-(4-methylphenyl)oxamide
PubChem CID2924110
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-cyclododecyl-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC2CCCCCCCCCCC2)cc1
InChIInChI=1S/C21H32N2O2/c1-17-13-15-19(16-14-17)23-21(25)20(24)22-18-11-9-7-5-3-2-4-6-8-10-12-18/h13-16,18H,2-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyJEBXWMDTTKDHBI-UHFFFAOYSA-N
XLogP4.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclohexyl-N'-phenyloxamide
CID 2271218
N-cyclohexyl-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585513
N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide
CID 104953006
N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide
CID 7585166
N-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide
CID 108986381
2-cyano-N-cyclohexyl-3-(4-methylanilino)but-2-enamide
CID 5210123
N'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide
CID 3489844
N'-(4-butylphenyl)-N-cycloheptyloxamide
CID 108502498
N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 18588731
N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide
CID 2058101
N-cycloheptyl-N'-(2,6-dimethylphenyl)oxamide
CID 7541637

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-N'-(4-methylphenyl)oxamide?
The IUPAC name of N-cyclododecyl-N'-(4-methylphenyl)oxamide (CID 2924110) is N-cyclododecyl-N'-(4-methylphenyl)oxamide.
What is the SMILES notation for N-cyclododecyl-N'-(4-methylphenyl)oxamide?
The canonical SMILES for N-cyclododecyl-N'-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NC2CCCCCCCCCCC2)cc1.
What is the InChIKey of N-cyclododecyl-N'-(4-methylphenyl)oxamide?
The InChIKey is JEBXWMDTTKDHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-17-13-15-19(16-14-17)23-21(25)20(24)22-18-11-9-7-5-3-2-4-6-8-10-12-18/h13-16,18H,2-12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-cyclododecyl-N'-(4-methylphenyl)oxamide?
N-cyclododecyl-N'-(4-methylphenyl)oxamide has a molecular weight of 344.50 g/mol, XLogP of 4.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-N'-(4-methylphenyl)oxamide is sourced from PubChem (CID 2924110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).