(2,3-dihydroxyphenyl) N,N-diethylcarbamate

C11H15NO4 — CID 131845695

IUPAC(2,3-dihydroxyphenyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cccc(O)c1O
InChIInChI=1S/C11H15NO4/c1-3-12(4-2)11(15)16-9-7-5-6-8(13)10(9)14/h5-7,13-14H,3-4H2,1-2H3
InChIKeyHPHMCFFKXOWJHB-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.94
Rot. Bonds3

About (2,3-dihydroxyphenyl) N,N-diethylcarbamate

(2,3-dihydroxyphenyl) N,N-diethylcarbamate (PubChem CID 131845695) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (2,3-dihydroxyphenyl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(2,3-dihydroxyphenyl) N,N-diethylcarbamate
PubChem CID131845695
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(2,3-dihydroxyphenyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cccc(O)c1O
InChIInChI=1S/C11H15NO4/c1-3-12(4-2)11(15)16-9-7-5-6-8(13)10(9)14/h5-7,13-14H,3-4H2,1-2H3
InChIKeyHPHMCFFKXOWJHB-UHFFFAOYSA-N
XLogP1.94
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze (2,3-dihydroxyphenyl) N,N-diethylcarbamate 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

(2-acetyl-3-chlorophenyl) N,N-diethylcarbamate
CID 10945491
9H-carbazol-4-yl N,N-diethylcarbamate
CID 165357789
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
[2-(diethylcarbamoyl)phenyl] N,N-dipropylcarbamate
CID 122517572
(6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate
CID 135067853
(2,3-dihydroxyphenyl) octanoate
CID 174963851
lithium (3-methoxybenzene-2-id-1-yl) N,N-diethylcarbamate
CID 25258688
(2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate
CID 57052459
[2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate
CID 122517571
[4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate
CID 163320636
(3-formylphenyl) N,N-diethylcarbamate
CID 46832010
(4-benzylphenyl) N,N-diethylcarbamate
CID 22414998

Frequently Asked Questions

What is the IUPAC name of (2,3-dihydroxyphenyl) N,N-diethylcarbamate?
The IUPAC name of (2,3-dihydroxyphenyl) N,N-diethylcarbamate (CID 131845695) is (2,3-dihydroxyphenyl) N,N-diethylcarbamate.
What is the SMILES notation for (2,3-dihydroxyphenyl) N,N-diethylcarbamate?
The canonical SMILES for (2,3-dihydroxyphenyl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cccc(O)c1O.
What is the InChIKey of (2,3-dihydroxyphenyl) N,N-diethylcarbamate?
The InChIKey is HPHMCFFKXOWJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-12(4-2)11(15)16-9-7-5-6-8(13)10(9)14/h5-7,13-14H,3-4H2,1-2H3.
What are the key properties of (2,3-dihydroxyphenyl) N,N-diethylcarbamate?
(2,3-dihydroxyphenyl) N,N-diethylcarbamate has a molecular weight of 225.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydroxyphenyl) N,N-diethylcarbamate is sourced from PubChem (CID 131845695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).