cis-(3R,10R)-3,11-diethyl-10-hydroxy-azacyclotetradecan-2-one

C17H33NO2 — CID 165353092

IUPACcis-(3R,10R)-3,11-diethyl-10-hydroxy-azacyclotetradecan-2-one
SMILESCCC1CCCNC(=O)[C@H](CC)CCCCCC[C@H]1O
InChIInChI=1S/C17H33NO2/c1-3-14-11-9-13-18-17(20)15(4-2)10-7-5-6-8-12-16(14)19/h14-16,19H,3-13H2,1-2H3,(H,18,20)/t14?,15-,16-/m1/s1
InChIKeyYLVXFMVXJOZAMY-ANGDWKNPSA-N
MW283.46 g/mol
LogP3.65
Rot. Bonds2

About cis-(3R,10R)-3,11-diethyl-10-hydroxy-azacyclotetradecan-2-one

cis-(3R,10R)-3,11-diethyl-10-hydroxy-azacyclotetradecan-2-one (PubChem CID 165353092) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is cis-(3R,10R)-3,11-diethyl-10-hydroxy-azacyclotetradecan-2-one.

Molecular Properties

Compound Namecis-(3R,10R)-3,11-diethyl-10-hydroxy-azacyclotetradecan-2-one
PubChem CID165353092
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Namecis-(3R,10R)-3,11-diethyl-10-hydroxy-azacyclotetradecan-2-one
SMILESCCC1CCCNC(=O)[C@H](CC)CCCCCC[C@H]1O
InChIInChI=1S/C17H33NO2/c1-3-14-11-9-13-18-17(20)15(4-2)10-7-5-6-8-12-16(14)19/h14-16,19H,3-13H2,1-2H3,(H,18,20)/t14?,15-,16-/m1/s1
InChIKeyYLVXFMVXJOZAMY-ANGDWKNPSA-N
XLogP3.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 104679133
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3-ethylazepan-2-one;7-ethylazepan-2-one
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ethane;2-ethylcyclopentan-1-ol
CID 144624771
3-(2-ethyl-2-hydroxybutyl)piperidin-2-one
CID 114497694
3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one
CID 165460765
3-[(dimethylamino)methyl]piperidin-2-one
CID 152616281
(3S)-3-(methoxymethyl)piperidin-2-one
CID 54226516
3-dodecylpiperidin-2-one
CID 67992079
3-but-2-ynylpiperidin-2-one
CID 104679069
methyl (2-oxoazepan-3-yl)methyl carbonate
CID 139614843
3-(2-hydroxy-3-methylbutyl)azepan-2-one
CID 130495542

Frequently Asked Questions

What is the IUPAC name of cis-(3R,10R)-3,11-diethyl-10-hydroxy-azacyclotetradecan-2-one?
The IUPAC name of cis-(3R,10R)-3,11-diethyl-10-hydroxy-azacyclotetradecan-2-one (CID 165353092) is cis-(3R,10R)-3,11-diethyl-10-hydroxy-azacyclotetradecan-2-one.
What is the SMILES notation for cis-(3R,10R)-3,11-diethyl-10-hydroxy-azacyclotetradecan-2-one?
The canonical SMILES for cis-(3R,10R)-3,11-diethyl-10-hydroxy-azacyclotetradecan-2-one is CCC1CCCNC(=O)[C@H](CC)CCCCCC[C@H]1O.
What is the InChIKey of cis-(3R,10R)-3,11-diethyl-10-hydroxy-azacyclotetradecan-2-one?
The InChIKey is YLVXFMVXJOZAMY-ANGDWKNPSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-14-11-9-13-18-17(20)15(4-2)10-7-5-6-8-12-16(14)19/h14-16,19H,3-13H2,1-2H3,(H,18,20)/t14?,15-,16-/m1/s1.
What are the key properties of cis-(3R,10R)-3,11-diethyl-10-hydroxy-azacyclotetradecan-2-one?
cis-(3R,10R)-3,11-diethyl-10-hydroxy-azacyclotetradecan-2-one has a molecular weight of 283.46 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,10R)-3,11-diethyl-10-hydroxy-azacyclotetradecan-2-one is sourced from PubChem (CID 165353092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).