N'-(4-cyclohexylhexadecyl)oxamide

C24H46N2O2 — CID 21260052

IUPACN'-(4-cyclohexylhexadecyl)oxamide
SMILESCCCCCCCCCCCCC(CCCNC(=O)C(N)=O)C1CCCCC1
InChIInChI=1S/C24H46N2O2/c1-2-3-4-5-6-7-8-9-10-12-16-22(21-17-13-11-14-18-21)19-15-20-26-24(28)23(25)27/h21-22H,2-20H2,1H3,(H2,25,27)(H,26,28)
InChIKeyYNPPSRWYGLUOFX-UHFFFAOYSA-N
MW394.64 g/mol
LogP5.88
Rot. Bonds16

About N'-(4-cyclohexylhexadecyl)oxamide

N'-(4-cyclohexylhexadecyl)oxamide (PubChem CID 21260052) has the molecular formula C24H46N2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is N'-(4-cyclohexylhexadecyl)oxamide.

Molecular Properties

Compound NameN'-(4-cyclohexylhexadecyl)oxamide
PubChem CID21260052
Molecular FormulaC24H46N2O2
Molecular Weight394.64 g/mol
Exact Mass394.36
IUPAC NameN'-(4-cyclohexylhexadecyl)oxamide
SMILESCCCCCCCCCCCCC(CCCNC(=O)C(N)=O)C1CCCCC1
InChIInChI=1S/C24H46N2O2/c1-2-3-4-5-6-7-8-9-10-12-16-22(21-17-13-11-14-18-21)19-15-20-26-24(28)23(25)27/h21-22H,2-20H2,1H3,(H2,25,27)(H,26,28)
InChIKeyYNPPSRWYGLUOFX-UHFFFAOYSA-N
XLogP5.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexadecan-8-ylcyclohexane
CID 91510029
undecan-5-ylcyclohexane
CID 524419
6-cyclohexyldecyl carbamate
CID 70556984
2-(cyclohexylamino)octanamide
CID 54893908
2-cyclopentyloctan-1-amine
CID 112569591
6-pentadecan-3-ylcycloundecane-1-carboxylic acid
CID 71129172
nonan-3-ylcyclopentane
CID 19893531
2-cyclopentyl-N-propylundecan-1-amine
CID 115926613
2-cyclopentyl-N-propyldecan-1-amine
CID 112569910
2-cyclopentyl-N-methyldodecan-1-amine
CID 112569791
2-cyclopentyl-N-propan-2-yloctan-1-amine
CID 112569984
7-cyclohexyl-3-[(diaminomethylideneamino)methyl]pentadec-2-enoic acid
CID 162833677

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyclohexylhexadecyl)oxamide?
The IUPAC name of N'-(4-cyclohexylhexadecyl)oxamide (CID 21260052) is N'-(4-cyclohexylhexadecyl)oxamide.
What is the SMILES notation for N'-(4-cyclohexylhexadecyl)oxamide?
The canonical SMILES for N'-(4-cyclohexylhexadecyl)oxamide is CCCCCCCCCCCCC(CCCNC(=O)C(N)=O)C1CCCCC1.
What is the InChIKey of N'-(4-cyclohexylhexadecyl)oxamide?
The InChIKey is YNPPSRWYGLUOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O2/c1-2-3-4-5-6-7-8-9-10-12-16-22(21-17-13-11-14-18-21)19-15-20-26-24(28)23(25)27/h21-22H,2-20H2,1H3,(H2,25,27)(H,26,28).
What are the key properties of N'-(4-cyclohexylhexadecyl)oxamide?
N'-(4-cyclohexylhexadecyl)oxamide has a molecular weight of 394.64 g/mol, XLogP of 5.88, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyclohexylhexadecyl)oxamide is sourced from PubChem (CID 21260052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).