N-[(2S,3R)-4-acetamido-3-ethoxy-2-hydroxybutyl]benzamide

C15H22N2O4 — CID 129206733

IUPACN-[(2S,3R)-4-acetamido-3-ethoxy-2-hydroxybutyl]benzamide
SMILESCCO[C@H](CNC(C)=O)[C@@H](O)CNC(=O)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-3-21-14(10-16-11(2)18)13(19)9-17-15(20)12-7-5-4-6-8-12/h4-8,13-14,19H,3,9-10H2,1-2H3,(H,16,18)(H,17,20)/t13-,14+/m0/s1
InChIKeyIDOFFPRMTGZXSA-UONOGXRCSA-N
MW294.35 g/mol
LogP0.32
Rot. Bonds8

About N-[(2S,3R)-4-acetamido-3-ethoxy-2-hydroxybutyl]benzamide

N-[(2S,3R)-4-acetamido-3-ethoxy-2-hydroxybutyl]benzamide (PubChem CID 129206733) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(2S,3R)-4-acetamido-3-ethoxy-2-hydroxybutyl]benzamide.

Molecular Properties

Compound NameN-[(2S,3R)-4-acetamido-3-ethoxy-2-hydroxybutyl]benzamide
PubChem CID129206733
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[(2S,3R)-4-acetamido-3-ethoxy-2-hydroxybutyl]benzamide
SMILESCCO[C@H](CNC(C)=O)[C@@H](O)CNC(=O)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-3-21-14(10-16-11(2)18)13(19)9-17-15(20)12-7-5-4-6-8-12/h4-8,13-14,19H,3,9-10H2,1-2H3,(H,16,18)(H,17,20)/t13-,14+/m0/s1
InChIKeyIDOFFPRMTGZXSA-UONOGXRCSA-N
XLogP0.32
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-4-acetamido-3-ethoxy-2-hydroxybutyl]benzamide?
The IUPAC name of N-[(2S,3R)-4-acetamido-3-ethoxy-2-hydroxybutyl]benzamide (CID 129206733) is N-[(2S,3R)-4-acetamido-3-ethoxy-2-hydroxybutyl]benzamide.
What is the SMILES notation for N-[(2S,3R)-4-acetamido-3-ethoxy-2-hydroxybutyl]benzamide?
The canonical SMILES for N-[(2S,3R)-4-acetamido-3-ethoxy-2-hydroxybutyl]benzamide is CCO[C@H](CNC(C)=O)[C@@H](O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[(2S,3R)-4-acetamido-3-ethoxy-2-hydroxybutyl]benzamide?
The InChIKey is IDOFFPRMTGZXSA-UONOGXRCSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-21-14(10-16-11(2)18)13(19)9-17-15(20)12-7-5-4-6-8-12/h4-8,13-14,19H,3,9-10H2,1-2H3,(H,16,18)(H,17,20)/t13-,14+/m0/s1.
What are the key properties of N-[(2S,3R)-4-acetamido-3-ethoxy-2-hydroxybutyl]benzamide?
N-[(2S,3R)-4-acetamido-3-ethoxy-2-hydroxybutyl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 0.32, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-4-acetamido-3-ethoxy-2-hydroxybutyl]benzamide is sourced from PubChem (CID 129206733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).