N-benzyl-N-[(2S,3S)-1,3,4-tris(phenylmethoxy)butan-2-yl]hydroxylamine

C32H35NO4 — CID 12964018

IUPACN-benzyl-N-[(2S,3S)-1,3,4-tris(phenylmethoxy)butan-2-yl]hydroxylamine
SMILESON(Cc1ccccc1)[C@@H](COCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C32H35NO4/c34-33(21-27-13-5-1-6-14-27)31(25-35-22-28-15-7-2-8-16-28)32(37-24-30-19-11-4-12-20-30)26-36-23-29-17-9-3-10-18-29/h1-20,31-32,34H,21-26H2/t31-,32+/m0/s1
InChIKeyODNRAZYMNNVNDM-AJQTZOPKSA-N
MW497.64 g/mol
LogP6.27
Rot. Bonds15

About N-benzyl-N-[(2S,3S)-1,3,4-tris(phenylmethoxy)butan-2-yl]hydroxylamine

N-benzyl-N-[(2S,3S)-1,3,4-tris(phenylmethoxy)butan-2-yl]hydroxylamine (PubChem CID 12964018) has the molecular formula C32H35NO4 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-benzyl-N-[(2S,3S)-1,3,4-tris(phenylmethoxy)butan-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-[(2S,3S)-1,3,4-tris(phenylmethoxy)butan-2-yl]hydroxylamine
PubChem CID12964018
Molecular FormulaC32H35NO4
Molecular Weight497.64 g/mol
Exact Mass497.26
IUPAC NameN-benzyl-N-[(2S,3S)-1,3,4-tris(phenylmethoxy)butan-2-yl]hydroxylamine
SMILESON(Cc1ccccc1)[C@@H](COCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C32H35NO4/c34-33(21-27-13-5-1-6-14-27)31(25-35-22-28-15-7-2-8-16-28)32(37-24-30-19-11-4-12-20-30)26-36-23-29-17-9-3-10-18-29/h1-20,31-32,34H,21-26H2/t31-,32+/m0/s1
InChIKeyODNRAZYMNNVNDM-AJQTZOPKSA-N
XLogP6.27
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
CID 122226978
(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol
CID 14303090
(2R,3S,4S,5R)-1,6-bis[(4-methylphenyl)methoxy]-2,5-bis(phenylmethoxy)hexane-3,4-diol
CID 3011280
2,5-bis[(4-fluorophenyl)methoxy]-1,6-bis(phenylmethoxy)hexane-3,4-diol
CID 18358352
(3S)-2-amino-3,4-bis(phenylmethoxy)butanenitrile
CID 142485430
2-bromo-1-phenyl-3,4-bis(phenylmethoxy)butan-1-one
CID 154115263
(2R,3S,4S)-1,2-bis(phenylmethoxy)heptane-3,4-diol
CID 13182124
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol
CID 101031219
(2S,3R,4R,5S,6S,7S,8R,9S,10R,11R)-2,3,4,6,7,8,9,10,11,12-decakis(phenylmethoxy)dodecane-1,5-diol
CID 10653976

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2S,3S)-1,3,4-tris(phenylmethoxy)butan-2-yl]hydroxylamine?
The IUPAC name of N-benzyl-N-[(2S,3S)-1,3,4-tris(phenylmethoxy)butan-2-yl]hydroxylamine (CID 12964018) is N-benzyl-N-[(2S,3S)-1,3,4-tris(phenylmethoxy)butan-2-yl]hydroxylamine.
What is the SMILES notation for N-benzyl-N-[(2S,3S)-1,3,4-tris(phenylmethoxy)butan-2-yl]hydroxylamine?
The canonical SMILES for N-benzyl-N-[(2S,3S)-1,3,4-tris(phenylmethoxy)butan-2-yl]hydroxylamine is ON(Cc1ccccc1)[C@@H](COCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1.
What is the InChIKey of N-benzyl-N-[(2S,3S)-1,3,4-tris(phenylmethoxy)butan-2-yl]hydroxylamine?
The InChIKey is ODNRAZYMNNVNDM-AJQTZOPKSA-N. The full InChI is InChI=1S/C32H35NO4/c34-33(21-27-13-5-1-6-14-27)31(25-35-22-28-15-7-2-8-16-28)32(37-24-30-19-11-4-12-20-30)26-36-23-29-17-9-3-10-18-29/h1-20,31-32,34H,21-26H2/t31-,32+/m0/s1.
What are the key properties of N-benzyl-N-[(2S,3S)-1,3,4-tris(phenylmethoxy)butan-2-yl]hydroxylamine?
N-benzyl-N-[(2S,3S)-1,3,4-tris(phenylmethoxy)butan-2-yl]hydroxylamine has a molecular weight of 497.64 g/mol, XLogP of 6.27, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2S,3S)-1,3,4-tris(phenylmethoxy)butan-2-yl]hydroxylamine is sourced from PubChem (CID 12964018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).