benzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate

C34H34N2O5 — CID 18759082

IUPACbenzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate
SMILESO=C(NC(Cc1ccccc1)C1OC1C(Cc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C34H34N2O5/c37-33(39-23-27-17-9-3-10-18-27)35-29(21-25-13-5-1-6-14-25)31-32(41-31)30(22-26-15-7-2-8-16-26)36-34(38)40-24-28-19-11-4-12-20-28/h1-20,29-32H,21-24H2,(H,35,37)(H,36,38)
InChIKeyQHFYQDPHHYSUFT-UHFFFAOYSA-N
MW550.66 g/mol
LogP5.83
Rot. Bonds12

About benzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate

benzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate (PubChem CID 18759082) has the molecular formula C34H34N2O5 and a molecular weight of 550.66 g/mol. Its IUPAC name is benzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate
PubChem CID18759082
Molecular FormulaC34H34N2O5
Molecular Weight550.66 g/mol
Exact Mass550.25
IUPAC Namebenzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate
SMILESO=C(NC(Cc1ccccc1)C1OC1C(Cc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C34H34N2O5/c37-33(39-23-27-17-9-3-10-18-27)35-29(21-25-13-5-1-6-14-25)31-32(41-31)30(22-26-15-7-2-8-16-26)36-34(38)40-24-28-19-11-4-12-20-28/h1-20,29-32H,21-24H2,(H,35,37)(H,36,38)
InChIKeyQHFYQDPHHYSUFT-UHFFFAOYSA-N
XLogP5.83
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.66
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze benzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate 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

benzyl N-[(1S)-1-[(4R,5R)-2-methyl-5-[(1S)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]-4,5-dihydro-1,3-dioxol-1-ium-4-yl]-2-phenylethyl]carbamate
CID 10462157
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate
CID 11346335
benzyl N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate
CID 22885970
benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate
CID 140568444
benzyl N-[(1S)-1-[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]-2-methylpropyl]carbamate
CID 139650639
benzyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate;hydrochloride
CID 159595061
benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 5289617
(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 6920101
dibenzyl 2-(phenylmethoxycarbonylamino)propanedioate
CID 10873729
benzyl N-[(1S)-5-hydroxy-1-[(2S)-oxiran-2-yl]pentyl]carbamate
CID 102391896
(2S,3R)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 11067450

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate (CID 18759082) is benzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate is O=C(NC(Cc1ccccc1)C1OC1C(Cc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate?
The InChIKey is QHFYQDPHHYSUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2O5/c37-33(39-23-27-17-9-3-10-18-27)35-29(21-25-13-5-1-6-14-25)31-32(41-31)30(22-26-15-7-2-8-16-26)36-34(38)40-24-28-19-11-4-12-20-28/h1-20,29-32H,21-24H2,(H,35,37)(H,36,38).
What are the key properties of benzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate?
benzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate has a molecular weight of 550.66 g/mol, XLogP of 5.83, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate is sourced from PubChem (CID 18759082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).