2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide

C11H21NO4 — CID 110125284

IUPAC2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide
SMILESCCOCC(=O)N(C)[C@@H]1CC[C@@H](OC)[C@@H]1O
InChIInChI=1S/C11H21NO4/c1-4-16-7-10(13)12(2)8-5-6-9(15-3)11(8)14/h8-9,11,14H,4-7H2,1-3H3/t8-,9-,11-/m1/s1
InChIKeyPROFFSKUPAOSLO-FXPVBKGRSA-N
MW231.29 g/mol
LogP0.02
Rot. Bonds5

About 2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide

2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide (PubChem CID 110125284) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide
PubChem CID110125284
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide
SMILESCCOCC(=O)N(C)[C@@H]1CC[C@@H](OC)[C@@H]1O
InChIInChI=1S/C11H21NO4/c1-4-16-7-10(13)12(2)8-5-6-9(15-3)11(8)14/h8-9,11,14H,4-7H2,1-3H3/t8-,9-,11-/m1/s1
InChIKeyPROFFSKUPAOSLO-FXPVBKGRSA-N
XLogP0.02
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylacetamide
CID 110125700
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 110125265
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide
CID 110125282
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide
CID 110125258
2-ethoxy-N-methyl-N-(oxan-4-yl)acetamide
CID 64591717
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide
CID 110125632
N-(2-hydroxycyclohexyl)-2-methoxy-N-methylacetamide
CID 102634610
(1R,2S,3S,4S)-2-(dimethylamino)-4-methoxycyclohexane-1,3-diol
CID 23266363
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110125644
3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide
CID 110125695
(1S,2R,3S)-3-methoxycyclopentane-1,2-diol
CID 130972133
N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide
CID 124730164

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide?
The IUPAC name of 2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide (CID 110125284) is 2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide.
What is the SMILES notation for 2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide?
The canonical SMILES for 2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide is CCOCC(=O)N(C)[C@@H]1CC[C@@H](OC)[C@@H]1O.
What is the InChIKey of 2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide?
The InChIKey is PROFFSKUPAOSLO-FXPVBKGRSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-16-7-10(13)12(2)8-5-6-9(15-3)11(8)14/h8-9,11,14H,4-7H2,1-3H3/t8-,9-,11-/m1/s1.
What are the key properties of 2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide?
2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide has a molecular weight of 231.29 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide is sourced from PubChem (CID 110125284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).