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

C13H24N2O3 — CID 75367056

IUPACN-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O
InChIInChI=1S/C13H24N2O3/c1-9(16)14-7-12-13(17)11(8-18-12)15-10-5-3-2-4-6-10/h10-13,15,17H,2-8H2,1H3,(H,14,16)/t11-,12-,13+/m1/s1
InChIKeyAVZDHHPENATZQF-UPJWGTAASA-N
MW256.35 g/mol
LogP0.17
Rot. Bonds4

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

N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide (PubChem CID 75367056) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide
PubChem CID75367056
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O
InChIInChI=1S/C13H24N2O3/c1-9(16)14-7-12-13(17)11(8-18-12)15-10-5-3-2-4-6-10/h10-13,15,17H,2-8H2,1H3,(H,14,16)/t11-,12-,13+/m1/s1
InChIKeyAVZDHHPENATZQF-UPJWGTAASA-N
XLogP0.17
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide (CID 75367056) is N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide is CC(=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]acetamide?
The InChIKey is AVZDHHPENATZQF-UPJWGTAASA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(16)14-7-12-13(17)11(8-18-12)15-10-5-3-2-4-6-10/h10-13,15,17H,2-8H2,1H3,(H,14,16)/t11-,12-,13+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide?
N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide has a molecular weight of 256.35 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 75367056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).