ethyl N-[3-(furan-3-yl)-3-hydroxypropyl]carbamate

C10H15NO4 — CID 71804391

IUPACethyl N-[3-(furan-3-yl)-3-hydroxypropyl]carbamate
SMILESCCOC(=O)NCCC(O)c1ccoc1
InChIInChI=1S/C10H15NO4/c1-2-15-10(13)11-5-3-9(12)8-4-6-14-7-8/h4,6-7,9,12H,2-3,5H2,1H3,(H,11,13)
InChIKeyMSSJXQMKPCFANV-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.45
Rot. Bonds5

About ethyl N-[3-(furan-3-yl)-3-hydroxypropyl]carbamate

ethyl N-[3-(furan-3-yl)-3-hydroxypropyl]carbamate (PubChem CID 71804391) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is ethyl N-[3-(furan-3-yl)-3-hydroxypropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(furan-3-yl)-3-hydroxypropyl]carbamate
PubChem CID71804391
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameethyl N-[3-(furan-3-yl)-3-hydroxypropyl]carbamate
SMILESCCOC(=O)NCCC(O)c1ccoc1
InChIInChI=1S/C10H15NO4/c1-2-15-10(13)11-5-3-9(12)8-4-6-14-7-8/h4,6-7,9,12H,2-3,5H2,1H3,(H,11,13)
InChIKeyMSSJXQMKPCFANV-UHFFFAOYSA-N
XLogP1.45
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-[3-(furan-3-yl)-3-hydroxypropyl]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-[3-(furan-3-yl)-3-hydroxypropyl]carbamate?
The IUPAC name of ethyl N-[3-(furan-3-yl)-3-hydroxypropyl]carbamate (CID 71804391) is ethyl N-[3-(furan-3-yl)-3-hydroxypropyl]carbamate.
What is the SMILES notation for ethyl N-[3-(furan-3-yl)-3-hydroxypropyl]carbamate?
The canonical SMILES for ethyl N-[3-(furan-3-yl)-3-hydroxypropyl]carbamate is CCOC(=O)NCCC(O)c1ccoc1.
What is the InChIKey of ethyl N-[3-(furan-3-yl)-3-hydroxypropyl]carbamate?
The InChIKey is MSSJXQMKPCFANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-2-15-10(13)11-5-3-9(12)8-4-6-14-7-8/h4,6-7,9,12H,2-3,5H2,1H3,(H,11,13).
What are the key properties of ethyl N-[3-(furan-3-yl)-3-hydroxypropyl]carbamate?
ethyl N-[3-(furan-3-yl)-3-hydroxypropyl]carbamate has a molecular weight of 213.23 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(furan-3-yl)-3-hydroxypropyl]carbamate is sourced from PubChem (CID 71804391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).