N-[4-(5,5-dimethyloxan-2-yl)-3,3-dimethylbutyl]-N-ethylacetamide

C17H33NO2 — CID 126624963

IUPACN-[4-(5,5-dimethyloxan-2-yl)-3,3-dimethylbutyl]-N-ethylacetamide
SMILESCCN(CCC(C)(C)CC1CCC(C)(C)CO1)C(C)=O
InChIInChI=1S/C17H33NO2/c1-7-18(14(2)19)11-10-16(3,4)12-15-8-9-17(5,6)13-20-15/h15H,7-13H2,1-6H3
InChIKeyYLOBWWLEKJWWGH-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.87
Rot. Bonds6

About N-[4-(5,5-dimethyloxan-2-yl)-3,3-dimethylbutyl]-N-ethylacetamide

N-[4-(5,5-dimethyloxan-2-yl)-3,3-dimethylbutyl]-N-ethylacetamide (PubChem CID 126624963) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[4-(5,5-dimethyloxan-2-yl)-3,3-dimethylbutyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-(5,5-dimethyloxan-2-yl)-3,3-dimethylbutyl]-N-ethylacetamide
PubChem CID126624963
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC NameN-[4-(5,5-dimethyloxan-2-yl)-3,3-dimethylbutyl]-N-ethylacetamide
SMILESCCN(CCC(C)(C)CC1CCC(C)(C)CO1)C(C)=O
InChIInChI=1S/C17H33NO2/c1-7-18(14(2)19)11-10-16(3,4)12-15-8-9-17(5,6)13-20-15/h15H,7-13H2,1-6H3
InChIKeyYLOBWWLEKJWWGH-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[2-(3-methyloxetan-3-yl)ethyl]acetamide
CID 144689131
2-chloro-N-[(5,5-dimethyloxan-2-yl)methyl]-N-[(4-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 166423645
N-ethyl-N-propylacetamide;methane;propane
CID 161155898
N-(2-aminoethyl)-N-ethylacetamide
CID 23084474
2-(4,4-dimethylcyclohexyl)sulfonyl-N,N-diethylacetamide
CID 136534969
3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide
CID 113117319
3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide
CID 80706316
acetic acid;N,N-diethylacetamide
CID 174447974
tert-butyl N-[3-[(4,4-dimethylcycloheptyl)amino]propyl]-N-ethylcarbamate
CID 107242640
N-[3-(diethylamino)propyl]-N-ethylacetamide
CID 102998319
ethyl 2-(5,5-dimethyloxepan-2-yl)acetate
CID 134975696
N,N-diethyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
CID 3151887

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,5-dimethyloxan-2-yl)-3,3-dimethylbutyl]-N-ethylacetamide?
The IUPAC name of N-[4-(5,5-dimethyloxan-2-yl)-3,3-dimethylbutyl]-N-ethylacetamide (CID 126624963) is N-[4-(5,5-dimethyloxan-2-yl)-3,3-dimethylbutyl]-N-ethylacetamide.
What is the SMILES notation for N-[4-(5,5-dimethyloxan-2-yl)-3,3-dimethylbutyl]-N-ethylacetamide?
The canonical SMILES for N-[4-(5,5-dimethyloxan-2-yl)-3,3-dimethylbutyl]-N-ethylacetamide is CCN(CCC(C)(C)CC1CCC(C)(C)CO1)C(C)=O.
What is the InChIKey of N-[4-(5,5-dimethyloxan-2-yl)-3,3-dimethylbutyl]-N-ethylacetamide?
The InChIKey is YLOBWWLEKJWWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-7-18(14(2)19)11-10-16(3,4)12-15-8-9-17(5,6)13-20-15/h15H,7-13H2,1-6H3.
What are the key properties of N-[4-(5,5-dimethyloxan-2-yl)-3,3-dimethylbutyl]-N-ethylacetamide?
N-[4-(5,5-dimethyloxan-2-yl)-3,3-dimethylbutyl]-N-ethylacetamide has a molecular weight of 283.46 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,5-dimethyloxan-2-yl)-3,3-dimethylbutyl]-N-ethylacetamide is sourced from PubChem (CID 126624963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).