benzyl N-[1-(2,4-dimethylfuran-3-yl)ethyl]-N-phenylcarbamate

C22H23NO3 — CID 15339249

IUPACbenzyl N-[1-(2,4-dimethylfuran-3-yl)ethyl]-N-phenylcarbamate
SMILESCc1coc(C)c1C(C)N(C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NO3/c1-16-14-25-18(3)21(16)17(2)23(20-12-8-5-9-13-20)22(24)26-15-19-10-6-4-7-11-19/h4-14,17H,15H2,1-3H3
InChIKeyPFABXAWQYXWSMA-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.80
Rot. Bonds5

About benzyl N-[1-(2,4-dimethylfuran-3-yl)ethyl]-N-phenylcarbamate

benzyl N-[1-(2,4-dimethylfuran-3-yl)ethyl]-N-phenylcarbamate (PubChem CID 15339249) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is benzyl N-[1-(2,4-dimethylfuran-3-yl)ethyl]-N-phenylcarbamate.

Molecular Properties

Compound Namebenzyl N-[1-(2,4-dimethylfuran-3-yl)ethyl]-N-phenylcarbamate
PubChem CID15339249
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Namebenzyl N-[1-(2,4-dimethylfuran-3-yl)ethyl]-N-phenylcarbamate
SMILESCc1coc(C)c1C(C)N(C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NO3/c1-16-14-25-18(3)21(16)17(2)23(20-12-8-5-9-13-20)22(24)26-15-19-10-6-4-7-11-19/h4-14,17H,15H2,1-3H3
InChIKeyPFABXAWQYXWSMA-UHFFFAOYSA-N
XLogP5.80
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl N-[1-(2,4-dimethylfuran-3-yl)ethyl]-N-phenylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2,4-dimethylfuran-3-yl)ethyl]-N-phenylcarbamate?
The IUPAC name of benzyl N-[1-(2,4-dimethylfuran-3-yl)ethyl]-N-phenylcarbamate (CID 15339249) is benzyl N-[1-(2,4-dimethylfuran-3-yl)ethyl]-N-phenylcarbamate.
What is the SMILES notation for benzyl N-[1-(2,4-dimethylfuran-3-yl)ethyl]-N-phenylcarbamate?
The canonical SMILES for benzyl N-[1-(2,4-dimethylfuran-3-yl)ethyl]-N-phenylcarbamate is Cc1coc(C)c1C(C)N(C(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[1-(2,4-dimethylfuran-3-yl)ethyl]-N-phenylcarbamate?
The InChIKey is PFABXAWQYXWSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-16-14-25-18(3)21(16)17(2)23(20-12-8-5-9-13-20)22(24)26-15-19-10-6-4-7-11-19/h4-14,17H,15H2,1-3H3.
What are the key properties of benzyl N-[1-(2,4-dimethylfuran-3-yl)ethyl]-N-phenylcarbamate?
benzyl N-[1-(2,4-dimethylfuran-3-yl)ethyl]-N-phenylcarbamate has a molecular weight of 349.43 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(2,4-dimethylfuran-3-yl)ethyl]-N-phenylcarbamate is sourced from PubChem (CID 15339249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).