O-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine

C18H23NO3 — CID 14814233

IUPACO-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine
SMILESNO[C@@H](CCOCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C18H23NO3/c19-22-18(15-21-14-17-9-5-2-6-10-17)11-12-20-13-16-7-3-1-4-8-16/h1-10,18H,11-15,19H2/t18-/m0/s1
InChIKeyPBQJZEMEOUHKBX-SFHVURJKSA-N
MW301.39 g/mol
LogP3.07
Rot. Bonds10

About O-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine

O-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine (PubChem CID 14814233) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is O-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine
PubChem CID14814233
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameO-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine
SMILESNO[C@@H](CCOCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C18H23NO3/c19-22-18(15-21-14-17-9-5-2-6-10-17)11-12-20-13-16-7-3-1-4-8-16/h1-10,18H,11-15,19H2/t18-/m0/s1
InChIKeyPBQJZEMEOUHKBX-SFHVURJKSA-N
XLogP3.07
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze O-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine 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

1,4-bis(phenylmethoxy)butan-2-yloxymethanediol
CID 166952138
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155
1-fluoro-4-phenylmethoxybutan-2-amine
CID 172858311
(3S)-3,5-bis(phenylmethoxy)pentan-1-ol
CID 15168221
(2R)-2-fluoro-4-phenylmethoxybutan-1-ol
CID 129405204
[(3R)-3-fluoro-3-iodopropoxy]methylbenzene
CID 125475539
[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene
CID 57272060
3-hydroxy-2,2-dimethyl-5-phenylmethoxypentanamide
CID 142666314
(2R)-2-amino-4-phenylmethoxybutanoic acid
CID 51340689
2-iodoethoxymethylbenzene
CID 10355314

Frequently Asked Questions

What is the IUPAC name of O-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine?
The IUPAC name of O-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine (CID 14814233) is O-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine.
What is the SMILES notation for O-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine?
The canonical SMILES for O-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine is NO[C@@H](CCOCc1ccccc1)COCc1ccccc1.
What is the InChIKey of O-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine?
The InChIKey is PBQJZEMEOUHKBX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23NO3/c19-22-18(15-21-14-17-9-5-2-6-10-17)11-12-20-13-16-7-3-1-4-8-16/h1-10,18H,11-15,19H2/t18-/m0/s1.
What are the key properties of O-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine?
O-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine has a molecular weight of 301.39 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine is sourced from PubChem (CID 14814233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).