N-(1-cyclohexyl-3,3-dimethyl-2-oxobutyl)-2-(oxan-4-yl)acetamide

C19H33NO3 — CID 58938934

IUPACN-(1-cyclohexyl-3,3-dimethyl-2-oxobutyl)-2-(oxan-4-yl)acetamide
SMILESCC(C)(C)C(=O)C(NC(=O)CC1CCOCC1)C1CCCCC1
InChIInChI=1S/C19H33NO3/c1-19(2,3)18(22)17(15-7-5-4-6-8-15)20-16(21)13-14-9-11-23-12-10-14/h14-15,17H,4-13H2,1-3H3,(H,20,21)
InChIKeyGCCSVHZWKGPXSU-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.48
Rot. Bonds5

About N-(1-cyclohexyl-3,3-dimethyl-2-oxobutyl)-2-(oxan-4-yl)acetamide

N-(1-cyclohexyl-3,3-dimethyl-2-oxobutyl)-2-(oxan-4-yl)acetamide (PubChem CID 58938934) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-(1-cyclohexyl-3,3-dimethyl-2-oxobutyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-3,3-dimethyl-2-oxobutyl)-2-(oxan-4-yl)acetamide
PubChem CID58938934
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC NameN-(1-cyclohexyl-3,3-dimethyl-2-oxobutyl)-2-(oxan-4-yl)acetamide
SMILESCC(C)(C)C(=O)C(NC(=O)CC1CCOCC1)C1CCCCC1
InChIInChI=1S/C19H33NO3/c1-19(2,3)18(22)17(15-7-5-4-6-8-15)20-16(21)13-14-9-11-23-12-10-14/h14-15,17H,4-13H2,1-3H3,(H,20,21)
InChIKeyGCCSVHZWKGPXSU-UHFFFAOYSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-3,3-dimethyl-2-oxobutyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of N-(1-cyclohexyl-3,3-dimethyl-2-oxobutyl)-2-(oxan-4-yl)acetamide (CID 58938934) is N-(1-cyclohexyl-3,3-dimethyl-2-oxobutyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-(1-cyclohexyl-3,3-dimethyl-2-oxobutyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-(1-cyclohexyl-3,3-dimethyl-2-oxobutyl)-2-(oxan-4-yl)acetamide is CC(C)(C)C(=O)C(NC(=O)CC1CCOCC1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexyl-3,3-dimethyl-2-oxobutyl)-2-(oxan-4-yl)acetamide?
The InChIKey is GCCSVHZWKGPXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-19(2,3)18(22)17(15-7-5-4-6-8-15)20-16(21)13-14-9-11-23-12-10-14/h14-15,17H,4-13H2,1-3H3,(H,20,21).
What are the key properties of N-(1-cyclohexyl-3,3-dimethyl-2-oxobutyl)-2-(oxan-4-yl)acetamide?
N-(1-cyclohexyl-3,3-dimethyl-2-oxobutyl)-2-(oxan-4-yl)acetamide has a molecular weight of 323.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-3,3-dimethyl-2-oxobutyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 58938934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).