2-(2,5-dimethoxyphenyl)ethyl carbamate

C11H15NO4 — CID 175601601

IUPAC2-(2,5-dimethoxyphenyl)ethyl carbamate
SMILESCOc1ccc(OC)c(CCOC(N)=O)c1
InChIInChI=1S/C11H15NO4/c1-14-9-3-4-10(15-2)8(7-9)5-6-16-11(12)13/h3-4,7H,5-6H2,1-2H3,(H2,12,13)
InChIKeyPXQPXZCCMGFIIO-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.34
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)ethyl carbamate

2-(2,5-dimethoxyphenyl)ethyl carbamate (PubChem CID 175601601) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)ethyl carbamate.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)ethyl carbamate
PubChem CID175601601
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(2,5-dimethoxyphenyl)ethyl carbamate
SMILESCOc1ccc(OC)c(CCOC(N)=O)c1
InChIInChI=1S/C11H15NO4/c1-14-9-3-4-10(15-2)8(7-9)5-6-16-11(12)13/h3-4,7H,5-6H2,1-2H3,(H2,12,13)
InChIKeyPXQPXZCCMGFIIO-UHFFFAOYSA-N
XLogP1.34
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dimethoxyphenyl)ethyl 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

3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
(2R)-2-amino-4-(2,5-dimethoxyphenyl)butanoic acid
CID 68733160
1-(2,5-dimethoxyphenyl)-4,4-dimethylpentan-3-one
CID 64503606
4-(2,5-dimethoxyphenyl)butanehydrazide
CID 116843562
2-(2,5-dimethoxyphenyl)-N-methoxyacetamide
CID 78829398
4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide
CID 116845076
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
bis(2-phenylethyl) 2-[(2,5-dimethoxyphenyl)methyl]propanedioate
CID 66702297
2-(2,5-dimethoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170385
2-(4-cyano-2,5-dimethoxyphenyl)ethyl carbamate
CID 175601576
(Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one
CID 102021855
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)ethyl carbamate?
The IUPAC name of 2-(2,5-dimethoxyphenyl)ethyl carbamate (CID 175601601) is 2-(2,5-dimethoxyphenyl)ethyl carbamate.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)ethyl carbamate?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)ethyl carbamate is COc1ccc(OC)c(CCOC(N)=O)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)ethyl carbamate?
The InChIKey is PXQPXZCCMGFIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-14-9-3-4-10(15-2)8(7-9)5-6-16-11(12)13/h3-4,7H,5-6H2,1-2H3,(H2,12,13).
What are the key properties of 2-(2,5-dimethoxyphenyl)ethyl carbamate?
2-(2,5-dimethoxyphenyl)ethyl carbamate has a molecular weight of 225.24 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)ethyl carbamate is sourced from PubChem (CID 175601601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).