2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate

C11H13NO5 — CID 79348889

IUPAC2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate
SMILESO=C(NCc1cccc2c1OCO2)OCCO
InChIInChI=1S/C11H13NO5/c13-4-5-15-11(14)12-6-8-2-1-3-9-10(8)17-7-16-9/h1-3,13H,4-7H2,(H,12,14)
InChIKeyKYXSJODJLVQSHY-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.63
Rot. Bonds4

About 2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate

2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate (PubChem CID 79348889) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate
PubChem CID79348889
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate
SMILESO=C(NCc1cccc2c1OCO2)OCCO
InChIInChI=1S/C11H13NO5/c13-4-5-15-11(14)12-6-8-2-1-3-9-10(8)17-7-16-9/h1-3,13H,4-7H2,(H,12,14)
InChIKeyKYXSJODJLVQSHY-UHFFFAOYSA-N
XLogP0.63
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)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

propyl N-(1,3-benzodioxol-4-ylmethyl)carbamate
CID 112738825
N-(1,3-benzodioxol-4-ylmethyl)-4-hydroxybutanamide
CID 79192354
2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride
CID 119298911
N-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide
CID 79209486
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)propanamide
CID 61211159
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide
CID 61212288
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)butanamide
CID 79023389
2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide
CID 76895703
2-[2-(1,3-benzodioxol-4-ylmethylamino)-2-oxoethoxy]acetic acid
CID 61327324
N-(1,3-benzodioxol-4-ylmethyl)-2-(methylamino)propanamide
CID 62638983
(2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide
CID 103795712

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate (CID 79348889) is 2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate is O=C(NCc1cccc2c1OCO2)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate?
The InChIKey is KYXSJODJLVQSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c13-4-5-15-11(14)12-6-8-2-1-3-9-10(8)17-7-16-9/h1-3,13H,4-7H2,(H,12,14).
What are the key properties of 2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate?
2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate has a molecular weight of 239.23 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate is sourced from PubChem (CID 79348889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).