2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide

C17H30N2O3 — CID 129323249

IUPAC2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(CN1CCC[C@@H]1[C@H]1CCCC[C@H]1O)NC1CCOCC1
InChIInChI=1S/C17H30N2O3/c20-16-6-2-1-4-14(16)15-5-3-9-19(15)12-17(21)18-13-7-10-22-11-8-13/h13-16,20H,1-12H2,(H,18,21)/t14-,15-,16-/m1/s1
InChIKeyFFUMZSDZIAJJQS-BZUAXINKSA-N
MW310.44 g/mol
LogP1.30
Rot. Bonds4

About 2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide

2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide (PubChem CID 129323249) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
PubChem CID129323249
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(CN1CCC[C@@H]1[C@H]1CCCC[C@H]1O)NC1CCOCC1
InChIInChI=1S/C17H30N2O3/c20-16-6-2-1-4-14(16)15-5-3-9-19(15)12-17(21)18-13-7-10-22-11-8-13/h13-16,20H,1-12H2,(H,18,21)/t14-,15-,16-/m1/s1
InChIKeyFFUMZSDZIAJJQS-BZUAXINKSA-N
XLogP1.30
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide with MolForge

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Related Compounds

2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 129323248
N-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetamide
CID 114339537
N-cyclopropyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide
CID 114339177
N-(cyclohexylcarbamoyl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide
CID 124863508
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 78942440
2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 114339583
N-cyclopropyl-3-[2-(2-hydroxycyclopentyl)piperidin-1-yl]propanamide
CID 114340005
N-ethyl-2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]acetamide
CID 114340200
2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 114339958
N-tert-butyl-2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]acetamide
CID 114340286
N-butyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide
CID 114339149
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 63849559

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide (CID 129323249) is 2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide is O=C(CN1CCC[C@@H]1[C@H]1CCCC[C@H]1O)NC1CCOCC1.
What is the InChIKey of 2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is FFUMZSDZIAJJQS-BZUAXINKSA-N. The full InChI is InChI=1S/C17H30N2O3/c20-16-6-2-1-4-14(16)15-5-3-9-19(15)12-17(21)18-13-7-10-22-11-8-13/h13-16,20H,1-12H2,(H,18,21)/t14-,15-,16-/m1/s1.
What are the key properties of 2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide?
2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 310.44 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 129323249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).