N-(4-cyclohexyl-4-oxobutyl)-2,2-dimethylpropanamide

C15H27NO2 — CID 15883432

IUPACN-(4-cyclohexyl-4-oxobutyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)C1CCCCC1
InChIInChI=1S/C15H27NO2/c1-15(2,3)14(18)16-11-7-10-13(17)12-8-5-4-6-9-12/h12H,4-11H2,1-3H3,(H,16,18)
InChIKeyZVDMUIJIMPXYAH-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.08
Rot. Bonds5

About N-(4-cyclohexyl-4-oxobutyl)-2,2-dimethylpropanamide

N-(4-cyclohexyl-4-oxobutyl)-2,2-dimethylpropanamide (PubChem CID 15883432) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(4-cyclohexyl-4-oxobutyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-cyclohexyl-4-oxobutyl)-2,2-dimethylpropanamide
PubChem CID15883432
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-(4-cyclohexyl-4-oxobutyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)C1CCCCC1
InChIInChI=1S/C15H27NO2/c1-15(2,3)14(18)16-11-7-10-13(17)12-8-5-4-6-9-12/h12H,4-11H2,1-3H3,(H,16,18)
InChIKeyZVDMUIJIMPXYAH-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexyl-4-oxobutyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-cyclohexyl-4-oxobutyl)-2,2-dimethylpropanamide (CID 15883432) is N-(4-cyclohexyl-4-oxobutyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-cyclohexyl-4-oxobutyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-cyclohexyl-4-oxobutyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCC(=O)C1CCCCC1.
What is the InChIKey of N-(4-cyclohexyl-4-oxobutyl)-2,2-dimethylpropanamide?
The InChIKey is ZVDMUIJIMPXYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(2,3)14(18)16-11-7-10-13(17)12-8-5-4-6-9-12/h12H,4-11H2,1-3H3,(H,16,18).
What are the key properties of N-(4-cyclohexyl-4-oxobutyl)-2,2-dimethylpropanamide?
N-(4-cyclohexyl-4-oxobutyl)-2,2-dimethylpropanamide has a molecular weight of 253.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexyl-4-oxobutyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 15883432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).