ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate

C13H17NO4 — CID 71803417

IUPACethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate
SMILESCCOC(=O)NCC(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H17NO4/c1-2-17-13(16)14-8-11(15)9-3-4-12-10(7-9)5-6-18-12/h3-4,7,11,15H,2,5-6,8H2,1H3,(H,14,16)
InChIKeyQEUHQOOUJRFPDK-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.40
Rot. Bonds4

About ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate

ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate (PubChem CID 71803417) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate
PubChem CID71803417
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nameethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate
SMILESCCOC(=O)NCC(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H17NO4/c1-2-17-13(16)14-8-11(15)9-3-4-12-10(7-9)5-6-18-12/h3-4,7,11,15H,2,5-6,8H2,1H3,(H,14,16)
InChIKeyQEUHQOOUJRFPDK-UHFFFAOYSA-N
XLogP1.40
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]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

N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-methylbutanamide
CID 90580682
ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 54458812
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 90580935
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-methylbenzamide
CID 90580695
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]cyclobutanecarboxamide
CID 90580681
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide
CID 121132014
N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 97042537
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 90580828
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 71803449
1-benzhydryl-3-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]urea
CID 97105782
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide
CID 86263918

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate?
The IUPAC name of ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate (CID 71803417) is ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate?
The canonical SMILES for ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate is CCOC(=O)NCC(O)c1ccc2c(c1)CCO2.
What is the InChIKey of ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate?
The InChIKey is QEUHQOOUJRFPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-2-17-13(16)14-8-11(15)9-3-4-12-10(7-9)5-6-18-12/h3-4,7,11,15H,2,5-6,8H2,1H3,(H,14,16).
What are the key properties of ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate?
ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate has a molecular weight of 251.28 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate is sourced from PubChem (CID 71803417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).