benzyl N-[2-[3,4-bis(phenylmethoxy)phenyl]-2-oxoethyl]-N-methylcarbamate

C31H29NO5 — CID 146186944

IUPACbenzyl N-[2-[3,4-bis(phenylmethoxy)phenyl]-2-oxoethyl]-N-methylcarbamate
SMILESCN(CC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)OCc1ccccc1
InChIInChI=1S/C31H29NO5/c1-32(31(34)37-23-26-15-9-4-10-16-26)20-28(33)27-17-18-29(35-21-24-11-5-2-6-12-24)30(19-27)36-22-25-13-7-3-8-14-25/h2-19H,20-23H2,1H3
InChIKeyBDGNHXKTSYXJMU-UHFFFAOYSA-N
MW495.58 g/mol
LogP6.30
Rot. Bonds11

About benzyl N-[2-[3,4-bis(phenylmethoxy)phenyl]-2-oxoethyl]-N-methylcarbamate

benzyl N-[2-[3,4-bis(phenylmethoxy)phenyl]-2-oxoethyl]-N-methylcarbamate (PubChem CID 146186944) has the molecular formula C31H29NO5 and a molecular weight of 495.58 g/mol. Its IUPAC name is benzyl N-[2-[3,4-bis(phenylmethoxy)phenyl]-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[2-[3,4-bis(phenylmethoxy)phenyl]-2-oxoethyl]-N-methylcarbamate
PubChem CID146186944
Molecular FormulaC31H29NO5
Molecular Weight495.58 g/mol
Exact Mass495.20
IUPAC Namebenzyl N-[2-[3,4-bis(phenylmethoxy)phenyl]-2-oxoethyl]-N-methylcarbamate
SMILESCN(CC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)OCc1ccccc1
InChIInChI=1S/C31H29NO5/c1-32(31(34)37-23-26-15-9-4-10-16-26)20-28(33)27-17-18-29(35-21-24-11-5-2-6-12-24)30(19-27)36-22-25-13-7-3-8-14-25/h2-19H,20-23H2,1H3
InChIKeyBDGNHXKTSYXJMU-UHFFFAOYSA-N
XLogP6.30
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.58
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl N-[2-[3,4-bis(phenylmethoxy)phenyl]-2-oxoethyl]-N-methylcarbamate 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-[2-(4-hydroxy-3-phenylmethoxyphenyl)-2-oxoethyl]-N-methylcarbamate;dibenzyl hydrogen phosphate
CID 70445524
2-tert-butyl-2-[2-(carboxylatomethoxy)-4-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]phenoxy]-3,3-dimethylbutanoate
CID 21465997
[2-(dimethylsulfamoyloxy)-5-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]phenyl] 2-methylpropanoate
CID 19880670
methyl 3-[3,4-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 142350282
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 177128218
benzyl N-[2-(5-bromo-2-pyridinyl)-2-oxoethyl]-N-methylcarbamate
CID 170993973
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
[2-hydroxy-5-[[methyl(phenacyl)carbamoyl]oxymethyl]phenyl] 4-methylbenzoate
CID 54271109
benzyl N,N-dimethylcarbamate
CID 12963450
1-O-methyl 4-O-[4-[[methyl(phenacyl)carbamoyl]oxymethyl]-2-(2-methylpropanoyloxy)phenyl] benzene-1,4-dicarboxylate
CID 54485274
2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone
CID 117391400

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[3,4-bis(phenylmethoxy)phenyl]-2-oxoethyl]-N-methylcarbamate?
The IUPAC name of benzyl N-[2-[3,4-bis(phenylmethoxy)phenyl]-2-oxoethyl]-N-methylcarbamate (CID 146186944) is benzyl N-[2-[3,4-bis(phenylmethoxy)phenyl]-2-oxoethyl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[2-[3,4-bis(phenylmethoxy)phenyl]-2-oxoethyl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[2-[3,4-bis(phenylmethoxy)phenyl]-2-oxoethyl]-N-methylcarbamate is CN(CC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[3,4-bis(phenylmethoxy)phenyl]-2-oxoethyl]-N-methylcarbamate?
The InChIKey is BDGNHXKTSYXJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO5/c1-32(31(34)37-23-26-15-9-4-10-16-26)20-28(33)27-17-18-29(35-21-24-11-5-2-6-12-24)30(19-27)36-22-25-13-7-3-8-14-25/h2-19H,20-23H2,1H3.
What are the key properties of benzyl N-[2-[3,4-bis(phenylmethoxy)phenyl]-2-oxoethyl]-N-methylcarbamate?
benzyl N-[2-[3,4-bis(phenylmethoxy)phenyl]-2-oxoethyl]-N-methylcarbamate has a molecular weight of 495.58 g/mol, XLogP of 6.30, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[3,4-bis(phenylmethoxy)phenyl]-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 146186944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).