2-[(2R,5R,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-ethylacetamide

C17H31N3O4 — CID 54641708

IUPAC2-[(2R,5R,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-ethylacetamide
SMILESCCNC(=O)C[C@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1
InChIInChI=1S/C17H31N3O4/c1-2-18-16(22)10-13-8-9-14(15(11-21)24-13)20-17(23)19-12-6-4-3-5-7-12/h12-15,21H,2-11H2,1H3,(H,18,22)(H2,19,20,23)/t13-,14-,15+/m1/s1
InChIKeyBNAVMIFMGJWBJF-KFWWJZLASA-N
MW341.45 g/mol
LogP1.05
Rot. Bonds6

About 2-[(2R,5R,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-ethylacetamide

2-[(2R,5R,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-ethylacetamide (PubChem CID 54641708) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[(2R,5R,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2R,5R,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-ethylacetamide
PubChem CID54641708
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Name2-[(2R,5R,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-ethylacetamide
SMILESCCNC(=O)C[C@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1
InChIInChI=1S/C17H31N3O4/c1-2-18-16(22)10-13-8-9-14(15(11-21)24-13)20-17(23)19-12-6-4-3-5-7-12/h12-15,21H,2-11H2,1H3,(H,18,22)(H2,19,20,23)/t13-,14-,15+/m1/s1
InChIKeyBNAVMIFMGJWBJF-KFWWJZLASA-N
XLogP1.05
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[(2R,5R,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5R,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-ethylacetamide?
The IUPAC name of 2-[(2R,5R,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-ethylacetamide (CID 54641708) is 2-[(2R,5R,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[(2R,5R,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-ethylacetamide?
The canonical SMILES for 2-[(2R,5R,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-ethylacetamide is CCNC(=O)C[C@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1.
What is the InChIKey of 2-[(2R,5R,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-ethylacetamide?
The InChIKey is BNAVMIFMGJWBJF-KFWWJZLASA-N. The full InChI is InChI=1S/C17H31N3O4/c1-2-18-16(22)10-13-8-9-14(15(11-21)24-13)20-17(23)19-12-6-4-3-5-7-12/h12-15,21H,2-11H2,1H3,(H,18,22)(H2,19,20,23)/t13-,14-,15+/m1/s1.
What are the key properties of 2-[(2R,5R,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-ethylacetamide?
2-[(2R,5R,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-ethylacetamide has a molecular weight of 341.45 g/mol, XLogP of 1.05, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5R,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-ethylacetamide is sourced from PubChem (CID 54641708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).