N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine

C44H58N2O8 — CID 14827678

IUPACN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine
SMILESNCCOCCOCCOCCNCC[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C44H58N2O8/c45-22-25-47-27-29-49-30-28-48-26-24-46-23-21-40-42(51-32-37-15-7-2-8-16-37)44(53-34-39-19-11-4-12-20-39)43(52-33-38-17-9-3-10-18-38)41(54-40)35-50-31-36-13-5-1-6-14-36/h1-20,40-44,46H,21-35,45H2/t40-,41-,42-,43-,44-/m1/s1
InChIKeyOJMRHMVKVJLIPP-HQZUZMDCSA-N
MW742.95 g/mol
LogP5.72
Rot. Bonds27

About N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine

N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine (PubChem CID 14827678) has the molecular formula C44H58N2O8 and a molecular weight of 742.95 g/mol. Its IUPAC name is N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine.

Molecular Properties

Compound NameN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine
PubChem CID14827678
Molecular FormulaC44H58N2O8
Molecular Weight742.95 g/mol
Exact Mass742.42
IUPAC NameN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine
SMILESNCCOCCOCCOCCNCC[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C44H58N2O8/c45-22-25-47-27-29-49-30-28-48-26-24-46-23-21-40-42(51-32-37-15-7-2-8-16-37)44(53-34-39-19-11-4-12-20-39)43(52-33-38-17-9-3-10-18-38)41(54-40)35-50-31-36-13-5-1-6-14-36/h1-20,40-44,46H,21-35,45H2/t40-,41-,42-,43-,44-/m1/s1
InChIKeyOJMRHMVKVJLIPP-HQZUZMDCSA-N
XLogP5.72
TPSA111.89 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.95
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine 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

Deoxynojirimycin Tetrabenzyl Ether
CID 11027759
(2S,3S,4S,5S,6R)-2-oxo-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-N-prop-2-enyl-1,2lambda5-oxaphosphinan-3-amine
CID 70690009
Galactose, 2-acetamido-2-deoxy-1,3,4,6-tetrabenzyl-
CID 314448
2,3,4,6-Tetra-O-benzyl-1-deoxynojirimycin Hydrochloric Acid Salt
CID 57369853
(2R,3R,4R,5S)-3,4,5-Tris(phenylmethoxy)-2-[(phenylmethoxy)methyl]piperidine Hydrochloride
CID 71752407
3,4,5-Tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine;hydrochloride
CID 76522009
(2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine;hydrochloride
CID 131632833
(3R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine;hydrochloride
CID 131700684
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-thione
CID 10896951
(2S,3R,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11699739
(2R,3R,4S,5R,6R)-2-azido-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxane
CID 11060794
tert-butyl N-[(3S,4S,5R)-4,5-dihydroxy-1-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]nonadecan-3-yl]carbamate
CID 11845711

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine?
The IUPAC name of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine (CID 14827678) is N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine.
What is the SMILES notation for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine?
The canonical SMILES for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine is NCCOCCOCCOCCNCC[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine?
The InChIKey is OJMRHMVKVJLIPP-HQZUZMDCSA-N. The full InChI is InChI=1S/C44H58N2O8/c45-22-25-47-27-29-49-30-28-48-26-24-46-23-21-40-42(51-32-37-15-7-2-8-16-37)44(53-34-39-19-11-4-12-20-39)43(52-33-38-17-9-3-10-18-38)41(54-40)35-50-31-36-13-5-1-6-14-36/h1-20,40-44,46H,21-35,45H2/t40-,41-,42-,43-,44-/m1/s1.
What are the key properties of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine?
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine has a molecular weight of 742.95 g/mol, XLogP of 5.72, 27 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanamine is sourced from PubChem (CID 14827678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).