N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide

C14H26N2O4 — CID 75367075

IUPACN-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O
InChIInChI=1S/C14H26N2O4/c1-19-9-13(17)15-7-12-14(18)11(8-20-12)16-10-5-3-2-4-6-10/h10-12,14,16,18H,2-9H2,1H3,(H,15,17)/t11-,12-,14+/m1/s1
InChIKeyXUFKKLXTOULSBS-BZPMIXESSA-N
MW286.37 g/mol
LogP-0.20
Rot. Bonds6

About N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide

N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide (PubChem CID 75367075) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
PubChem CID75367075
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC NameN-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O
InChIInChI=1S/C14H26N2O4/c1-19-9-13(17)15-7-12-14(18)11(8-20-12)16-10-5-3-2-4-6-10/h10-12,14,16,18H,2-9H2,1H3,(H,15,17)/t11-,12-,14+/m1/s1
InChIKeyXUFKKLXTOULSBS-BZPMIXESSA-N
XLogP-0.20
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide (CID 75367075) is N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is XUFKKLXTOULSBS-BZPMIXESSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-19-9-13(17)15-7-12-14(18)11(8-20-12)16-10-5-3-2-4-6-10/h10-12,14,16,18H,2-9H2,1H3,(H,15,17)/t11-,12-,14+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 286.37 g/mol, XLogP of -0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 75367075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).