ethyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate

C15H20N2O4 — CID 3237182

IUPACethyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H20N2O4/c1-2-20-15(19)17-12-7-5-11(6-8-12)14(18)16-10-13-4-3-9-21-13/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyBRGRTNGLQAAJNY-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.16
Rot. Bonds5

About ethyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate

ethyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate (PubChem CID 3237182) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate
PubChem CID3237182
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameethyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H20N2O4/c1-2-20-15(19)17-12-7-5-11(6-8-12)14(18)16-10-13-4-3-9-21-13/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyBRGRTNGLQAAJNY-UHFFFAOYSA-N
XLogP2.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate 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 ethyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate (CID 3237182) is ethyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate is CCOC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of ethyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate?
The InChIKey is BRGRTNGLQAAJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-20-15(19)17-12-7-5-11(6-8-12)14(18)16-10-13-4-3-9-21-13/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of ethyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate?
ethyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate has a molecular weight of 292.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 3237182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).