(2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine oxide

C24H25NO3 — CID 11394741

IUPAC(2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine oxide
SMILES[O-]/[N+](=C\[C@@H](COCc1ccccc1)OCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25NO3/c26-25(16-21-10-4-1-5-11-21)17-24(28-19-23-14-8-3-9-15-23)20-27-18-22-12-6-2-7-13-22/h1-15,17,24H,16,18-20H2/b25-17-/t24-/m0/s1
InChIKeyZJCXIFKXSNJGLC-FDJRJZQMSA-N
MW375.47 g/mol
LogP4.57
Rot. Bonds10

About (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine oxide

(2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine oxide (PubChem CID 11394741) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine oxide.

Molecular Properties

Compound Name(2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine oxide
PubChem CID11394741
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name(2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine oxide
SMILES[O-]/[N+](=C\[C@@H](COCc1ccccc1)OCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25NO3/c26-25(16-21-10-4-1-5-11-21)17-24(28-19-23-14-8-3-9-15-23)20-27-18-22-12-6-2-7-13-22/h1-15,17,24H,16,18-20H2/b25-17-/t24-/m0/s1
InChIKeyZJCXIFKXSNJGLC-FDJRJZQMSA-N
XLogP4.57
TPSA44.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine oxide 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-benzyl-2-(1-phenylmethoxypent-4-en-2-yloxy)ethanimine oxide
CID 14979664
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene
CID 57272060
(2S)-N-benzyl-2-formamidopropan-1-imine oxide
CID 177384432
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene
CID 90923147
2,2-dibromoethoxymethylbenzene
CID 14668834
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S,3R,4R,5R)-N-benzyl-2,4,5,6-tetrahydroxy-3-prop-2-enoxyhexan-1-imine oxide
CID 177410144
(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal
CID 87261996
(2S)-2-[(E)-but-2-enoxy]-3-phenylmethoxypropanal
CID 10857375
N-benzyl-1-[4-[(E)-[benzyl(oxido)azaniumylidene]methyl]phenyl]methanimine oxide
CID 139236481

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine oxide?
The IUPAC name of (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine oxide (CID 11394741) is (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine oxide.
What is the SMILES notation for (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine oxide?
The canonical SMILES for (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine oxide is [O-]/[N+](=C\[C@@H](COCc1ccccc1)OCc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine oxide?
The InChIKey is ZJCXIFKXSNJGLC-FDJRJZQMSA-N. The full InChI is InChI=1S/C24H25NO3/c26-25(16-21-10-4-1-5-11-21)17-24(28-19-23-14-8-3-9-15-23)20-27-18-22-12-6-2-7-13-22/h1-15,17,24H,16,18-20H2/b25-17-/t24-/m0/s1.
What are the key properties of (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine oxide?
(2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine oxide has a molecular weight of 375.47 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine oxide is sourced from PubChem (CID 11394741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).