(2R)-N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-phenylmethoxypropanamide

C20H23NO6 — CID 52528634

IUPAC(2R)-N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-phenylmethoxypropanamide
SMILESC[C@@H](OCc1ccccc1)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C20H23NO6/c1-14(24-11-15-5-3-2-4-6-15)20(23)21-10-16(22)12-25-17-7-8-18-19(9-17)27-13-26-18/h2-9,14,16,22H,10-13H2,1H3,(H,21,23)/t14-,16+/m1/s1
InChIKeyDBNINVDCWHLGPD-ZBFHGGJFSA-N
MW373.41 g/mol
LogP1.88
Rot. Bonds9

About (2R)-N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-phenylmethoxypropanamide

(2R)-N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-phenylmethoxypropanamide (PubChem CID 52528634) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is (2R)-N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-phenylmethoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-phenylmethoxypropanamide
PubChem CID52528634
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name(2R)-N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-phenylmethoxypropanamide
SMILESC[C@@H](OCc1ccccc1)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C20H23NO6/c1-14(24-11-15-5-3-2-4-6-15)20(23)21-10-16(22)12-25-17-7-8-18-19(9-17)27-13-26-18/h2-9,14,16,22H,10-13H2,1H3,(H,21,23)/t14-,16+/m1/s1
InChIKeyDBNINVDCWHLGPD-ZBFHGGJFSA-N
XLogP1.88
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-phenylmethoxypropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-chlorobenzamide
CID 94799470
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577497
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 47930490
N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(4-chlorophenyl)acetamide
CID 52505208
1-(1,3-benzodioxol-5-yloxy)-3-(benzylamino)butan-2-ol
CID 10639068
2-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-methylpentanamide
CID 119751829
4-[[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122025005
4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide
CID 119305084
N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide
CID 94796566
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 166207049
2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid
CID 66166214
1-(1,3-benzodioxol-5-yloxy)pentan-2-ol
CID 62041506

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-phenylmethoxypropanamide?
The IUPAC name of (2R)-N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-phenylmethoxypropanamide (CID 52528634) is (2R)-N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-phenylmethoxypropanamide.
What is the SMILES notation for (2R)-N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-phenylmethoxypropanamide?
The canonical SMILES for (2R)-N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-phenylmethoxypropanamide is C[C@@H](OCc1ccccc1)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-phenylmethoxypropanamide?
The InChIKey is DBNINVDCWHLGPD-ZBFHGGJFSA-N. The full InChI is InChI=1S/C20H23NO6/c1-14(24-11-15-5-3-2-4-6-15)20(23)21-10-16(22)12-25-17-7-8-18-19(9-17)27-13-26-18/h2-9,14,16,22H,10-13H2,1H3,(H,21,23)/t14-,16+/m1/s1.
What are the key properties of (2R)-N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-phenylmethoxypropanamide?
(2R)-N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-phenylmethoxypropanamide has a molecular weight of 373.41 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 52528634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).