2-(2,6-dimethyloxan-4-yl)-N-(2,2-dimethyl-4-oxopentan-3-yl)acetamide;ethane

C18H35NO3 — CID 145466127

IUPAC2-(2,6-dimethyloxan-4-yl)-N-(2,2-dimethyl-4-oxopentan-3-yl)acetamide;ethane
SMILESCC.CC(=O)C(NC(=O)CC1CC(C)OC(C)C1)C(C)(C)C
InChIInChI=1S/C16H29NO3.C2H6/c1-10-7-13(8-11(2)20-10)9-14(19)17-15(12(3)18)16(4,5)6;1-2/h10-11,13,15H,7-9H2,1-6H3,(H,17,19);1-2H3
InChIKeyGXHDRWMBRKEHKS-UHFFFAOYSA-N
MW313.48 g/mol
LogP3.73
Rot. Bonds4

About 2-(2,6-dimethyloxan-4-yl)-N-(2,2-dimethyl-4-oxopentan-3-yl)acetamide;ethane

2-(2,6-dimethyloxan-4-yl)-N-(2,2-dimethyl-4-oxopentan-3-yl)acetamide;ethane (PubChem CID 145466127) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is 2-(2,6-dimethyloxan-4-yl)-N-(2,2-dimethyl-4-oxopentan-3-yl)acetamide;ethane.

Molecular Properties

Compound Name2-(2,6-dimethyloxan-4-yl)-N-(2,2-dimethyl-4-oxopentan-3-yl)acetamide;ethane
PubChem CID145466127
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC Name2-(2,6-dimethyloxan-4-yl)-N-(2,2-dimethyl-4-oxopentan-3-yl)acetamide;ethane
SMILESCC.CC(=O)C(NC(=O)CC1CC(C)OC(C)C1)C(C)(C)C
InChIInChI=1S/C16H29NO3.C2H6/c1-10-7-13(8-11(2)20-10)9-14(19)17-15(12(3)18)16(4,5)6;1-2/h10-11,13,15H,7-9H2,1-6H3,(H,17,19);1-2H3
InChIKeyGXHDRWMBRKEHKS-UHFFFAOYSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 58363577
2-(2,6-dimethyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
CID 58938825
N-(1-cyclohexyl-3,3-dimethyl-2-oxobutyl)-2-(oxan-4-yl)acetamide
CID 58938934
2-(oxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
CID 58938939
2-(4-methyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
CID 58938962
4-methoxy-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)cyclohexane-1-carboxamide
CID 58939018
N-(2,2-dimethyl-4-oxopentan-3-yl)-2-(oxan-4-yl)acetamide
CID 68245811
N-(1-cyclohexyl-2-oxopropyl)-2-(oxan-4-yl)acetamide
CID 68245953
N-(2,2-dimethyl-4-oxopentan-3-yl)-2-(4-methyloxan-4-yl)acetamide
CID 68246068
N-[(3S)-2,2-dimethyl-4-oxohexan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 68276689
N-(1-cyclohexyl-2-oxobutyl)-2-(oxan-4-yl)acetamide
CID 68276777
N-(2,2-dimethyl-4-oxohexan-3-yl)-2-(4-methyloxan-4-yl)acetamide
CID 68276885

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyloxan-4-yl)-N-(2,2-dimethyl-4-oxopentan-3-yl)acetamide;ethane?
The IUPAC name of 2-(2,6-dimethyloxan-4-yl)-N-(2,2-dimethyl-4-oxopentan-3-yl)acetamide;ethane (CID 145466127) is 2-(2,6-dimethyloxan-4-yl)-N-(2,2-dimethyl-4-oxopentan-3-yl)acetamide;ethane.
What is the SMILES notation for 2-(2,6-dimethyloxan-4-yl)-N-(2,2-dimethyl-4-oxopentan-3-yl)acetamide;ethane?
The canonical SMILES for 2-(2,6-dimethyloxan-4-yl)-N-(2,2-dimethyl-4-oxopentan-3-yl)acetamide;ethane is CC.CC(=O)C(NC(=O)CC1CC(C)OC(C)C1)C(C)(C)C.
What is the InChIKey of 2-(2,6-dimethyloxan-4-yl)-N-(2,2-dimethyl-4-oxopentan-3-yl)acetamide;ethane?
The InChIKey is GXHDRWMBRKEHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3.C2H6/c1-10-7-13(8-11(2)20-10)9-14(19)17-15(12(3)18)16(4,5)6;1-2/h10-11,13,15H,7-9H2,1-6H3,(H,17,19);1-2H3.
What are the key properties of 2-(2,6-dimethyloxan-4-yl)-N-(2,2-dimethyl-4-oxopentan-3-yl)acetamide;ethane?
2-(2,6-dimethyloxan-4-yl)-N-(2,2-dimethyl-4-oxopentan-3-yl)acetamide;ethane has a molecular weight of 313.48 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyloxan-4-yl)-N-(2,2-dimethyl-4-oxopentan-3-yl)acetamide;ethane is sourced from PubChem (CID 145466127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).