(2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide

C20H25NO4 — CID 101488887

IUPAC(2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide
SMILESCON(C)C(=O)[C@@H](OCc1ccccc1)[C@H](O)CCc1ccccc1
InChIInChI=1S/C20H25NO4/c1-21(24-2)20(23)19(25-15-17-11-7-4-8-12-17)18(22)14-13-16-9-5-3-6-10-16/h3-12,18-19,22H,13-15H2,1-2H3/t18-,19+/m1/s1
InChIKeyGXKDHHUYJDHEBR-MOPGFXCFSA-N
MW343.42 g/mol
LogP2.59
Rot. Bonds9

About (2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide

(2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide (PubChem CID 101488887) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide
PubChem CID101488887
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name(2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide
SMILESCON(C)C(=O)[C@@H](OCc1ccccc1)[C@H](O)CCc1ccccc1
InChIInChI=1S/C20H25NO4/c1-21(24-2)20(23)19(25-15-17-11-7-4-8-12-17)18(22)14-13-16-9-5-3-6-10-16/h3-12,18-19,22H,13-15H2,1-2H3/t18-,19+/m1/s1
InChIKeyGXKDHHUYJDHEBR-MOPGFXCFSA-N
XLogP2.59
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide 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

(2S,3S)-N,3-dihydroxy-2,4-dimethyl-2-[(4-phenylphenyl)methoxy]pentanamide
CID 45254637
(2S,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]butanamide
CID 45254832
(2S,3R)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]butanamide
CID 45255036
(2S,3S)-N,3-dihydroxy-2,5-dimethyl-2-[(4-phenylphenyl)methoxy]hexanamide
CID 70681061
N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide
CID 70689467
(2S,3S)-5-ethoxy-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide
CID 70689468
(2S,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]heptanamide
CID 70693660
(2S,3S)-N,3-dihydroxy-2-methyl-3-phenyl-2-[(4-phenylphenyl)methoxy]propanamide
CID 70693661
(2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide
CID 70693659
(2S,3S)-5,5,5-trifluoro-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide
CID 87355222
3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-hydroxy-N-methyl-3-phenylpropanamide
CID 88454895
(2S,3R,4R,6S)-3-hydroxy-N,2-dimethoxy-N,4,6-trimethyl-7-trityloxyheptanamide
CID 15139780

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide?
The IUPAC name of (2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide (CID 101488887) is (2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide is CON(C)C(=O)[C@@H](OCc1ccccc1)[C@H](O)CCc1ccccc1.
What is the InChIKey of (2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide?
The InChIKey is GXKDHHUYJDHEBR-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H25NO4/c1-21(24-2)20(23)19(25-15-17-11-7-4-8-12-17)18(22)14-13-16-9-5-3-6-10-16/h3-12,18-19,22H,13-15H2,1-2H3/t18-,19+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide?
(2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide has a molecular weight of 343.42 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide is sourced from PubChem (CID 101488887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).