N-[6-ethyl-4,5-dimethyl-2-[4,4,5-trimethyl-2-(2,3,4,5,6-pentamethylcyclohexyl)oxyoxolan-3-yl]oxyoxan-3-yl]-N-methylpropanamide

C31H57NO5 — CID 91036488

IUPACN-[6-ethyl-4,5-dimethyl-2-[4,4,5-trimethyl-2-(2,3,4,5,6-pentamethylcyclohexyl)oxyoxolan-3-yl]oxyoxan-3-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)C1C(OC2C(OC3C(C)C(C)C(C)C(C)C3C)OC(C)C2(C)C)OC(CC)C(C)C1C
InChIInChI=1S/C31H57NO5/c1-14-24-19(6)20(7)26(32(13)25(33)15-2)29(35-24)37-28-30(34-23(10)31(28,11)12)36-27-21(8)17(4)16(3)18(5)22(27)9/h16-24,26-30H,14-15H2,1-13H3
InChIKeyFTUYQCCNGVCACT-UHFFFAOYSA-N
MW523.80 g/mol
LogP6.37
Rot. Bonds7

About N-[6-ethyl-4,5-dimethyl-2-[4,4,5-trimethyl-2-(2,3,4,5,6-pentamethylcyclohexyl)oxyoxolan-3-yl]oxyoxan-3-yl]-N-methylpropanamide

N-[6-ethyl-4,5-dimethyl-2-[4,4,5-trimethyl-2-(2,3,4,5,6-pentamethylcyclohexyl)oxyoxolan-3-yl]oxyoxan-3-yl]-N-methylpropanamide (PubChem CID 91036488) has the molecular formula C31H57NO5 and a molecular weight of 523.80 g/mol. Its IUPAC name is N-[6-ethyl-4,5-dimethyl-2-[4,4,5-trimethyl-2-(2,3,4,5,6-pentamethylcyclohexyl)oxyoxolan-3-yl]oxyoxan-3-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[6-ethyl-4,5-dimethyl-2-[4,4,5-trimethyl-2-(2,3,4,5,6-pentamethylcyclohexyl)oxyoxolan-3-yl]oxyoxan-3-yl]-N-methylpropanamide
PubChem CID91036488
Molecular FormulaC31H57NO5
Molecular Weight523.80 g/mol
Exact Mass523.42
IUPAC NameN-[6-ethyl-4,5-dimethyl-2-[4,4,5-trimethyl-2-(2,3,4,5,6-pentamethylcyclohexyl)oxyoxolan-3-yl]oxyoxan-3-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)C1C(OC2C(OC3C(C)C(C)C(C)C(C)C3C)OC(C)C2(C)C)OC(CC)C(C)C1C
InChIInChI=1S/C31H57NO5/c1-14-24-19(6)20(7)26(32(13)25(33)15-2)29(35-24)37-28-30(34-23(10)31(28,11)12)36-27-21(8)17(4)16(3)18(5)22(27)9/h16-24,26-30H,14-15H2,1-13H3
InChIKeyFTUYQCCNGVCACT-UHFFFAOYSA-N
XLogP6.37
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.80
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[6-ethyl-4,5-dimethyl-2-[4,4,5-trimethyl-2-(2,3,4,5,6-pentamethylcyclohexyl)oxyoxolan-3-yl]oxyoxan-3-yl]-N-methylpropanamide with MolForge

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Related Compounds

N-(6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl)-N-methylacetamide
CID 58298704
(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(4S,5S)-6-ethyl-2,4,5-trimethyloxan-3-yl]oxy-3,5-dimethyloxane
CID 158555305
1-[(3S,4R)-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5,6-trimethyloxan-2-yl]ethanone
CID 70990683
2-ethyl-3-[6-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxane
CID 22974905
(2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane
CID 90909875
1-[(3R,5S,6R)-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-2-yl]ethanone
CID 162174979
(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-[(3R,4S,6S)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
CID 163909769
(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-[(3R,4S,6R)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol
CID 163470455
(3S,4R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol
CID 59101140
(2R,4S,5R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoxane-2,3,5-triol
CID 126492470
N-[(2S,3S,4S,5R,6S)-2-[(2R,3R,4R,5S)-2-[(1R,2S,3R,4R,5S,6R)-2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-formyl-4-hydroxy-5-methyloxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-hydroxy-N-methylacetamide
CID 102513283
CID 160658563
CID 160658563

Frequently Asked Questions

What is the IUPAC name of N-[6-ethyl-4,5-dimethyl-2-[4,4,5-trimethyl-2-(2,3,4,5,6-pentamethylcyclohexyl)oxyoxolan-3-yl]oxyoxan-3-yl]-N-methylpropanamide?
The IUPAC name of N-[6-ethyl-4,5-dimethyl-2-[4,4,5-trimethyl-2-(2,3,4,5,6-pentamethylcyclohexyl)oxyoxolan-3-yl]oxyoxan-3-yl]-N-methylpropanamide (CID 91036488) is N-[6-ethyl-4,5-dimethyl-2-[4,4,5-trimethyl-2-(2,3,4,5,6-pentamethylcyclohexyl)oxyoxolan-3-yl]oxyoxan-3-yl]-N-methylpropanamide.
What is the SMILES notation for N-[6-ethyl-4,5-dimethyl-2-[4,4,5-trimethyl-2-(2,3,4,5,6-pentamethylcyclohexyl)oxyoxolan-3-yl]oxyoxan-3-yl]-N-methylpropanamide?
The canonical SMILES for N-[6-ethyl-4,5-dimethyl-2-[4,4,5-trimethyl-2-(2,3,4,5,6-pentamethylcyclohexyl)oxyoxolan-3-yl]oxyoxan-3-yl]-N-methylpropanamide is CCC(=O)N(C)C1C(OC2C(OC3C(C)C(C)C(C)C(C)C3C)OC(C)C2(C)C)OC(CC)C(C)C1C.
What is the InChIKey of N-[6-ethyl-4,5-dimethyl-2-[4,4,5-trimethyl-2-(2,3,4,5,6-pentamethylcyclohexyl)oxyoxolan-3-yl]oxyoxan-3-yl]-N-methylpropanamide?
The InChIKey is FTUYQCCNGVCACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H57NO5/c1-14-24-19(6)20(7)26(32(13)25(33)15-2)29(35-24)37-28-30(34-23(10)31(28,11)12)36-27-21(8)17(4)16(3)18(5)22(27)9/h16-24,26-30H,14-15H2,1-13H3.
What are the key properties of N-[6-ethyl-4,5-dimethyl-2-[4,4,5-trimethyl-2-(2,3,4,5,6-pentamethylcyclohexyl)oxyoxolan-3-yl]oxyoxan-3-yl]-N-methylpropanamide?
N-[6-ethyl-4,5-dimethyl-2-[4,4,5-trimethyl-2-(2,3,4,5,6-pentamethylcyclohexyl)oxyoxolan-3-yl]oxyoxan-3-yl]-N-methylpropanamide has a molecular weight of 523.80 g/mol, XLogP of 6.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-ethyl-4,5-dimethyl-2-[4,4,5-trimethyl-2-(2,3,4,5,6-pentamethylcyclohexyl)oxyoxolan-3-yl]oxyoxan-3-yl]-N-methylpropanamide is sourced from PubChem (CID 91036488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).