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

C18H26N2O3 — CID 75367084

IUPACN-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O)c1ccccc1
InChIInChI=1S/C18H26N2O3/c21-17-15(20-14-9-5-2-6-10-14)12-23-16(17)11-19-18(22)13-7-3-1-4-8-13/h1,3-4,7-8,14-17,20-21H,2,5-6,9-12H2,(H,19,22)/t15-,16-,17+/m1/s1
InChIKeyWRGJXQHJQPDYSG-ZACQAIPSSA-N
MW318.42 g/mol
LogP1.47
Rot. Bonds5

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

N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide (PubChem CID 75367084) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide
PubChem CID75367084
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O)c1ccccc1
InChIInChI=1S/C18H26N2O3/c21-17-15(20-14-9-5-2-6-10-14)12-23-16(17)11-19-18(22)13-7-3-1-4-8-13/h1,3-4,7-8,14-17,20-21H,2,5-6,9-12H2,(H,19,22)/t15-,16-,17+/m1/s1
InChIKeyWRGJXQHJQPDYSG-ZACQAIPSSA-N
XLogP1.47
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide 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 N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide (CID 75367084) is N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide is O=C(NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O)c1ccccc1.
What is the InChIKey of N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide?
The InChIKey is WRGJXQHJQPDYSG-ZACQAIPSSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-17-15(20-14-9-5-2-6-10-14)12-23-16(17)11-19-18(22)13-7-3-1-4-8-13/h1,3-4,7-8,14-17,20-21H,2,5-6,9-12H2,(H,19,22)/t15-,16-,17+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide?
N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide has a molecular weight of 318.42 g/mol, XLogP of 1.47, 5 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]benzamide is sourced from PubChem (CID 75367084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).