ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate

C12H17NO4 — CID 54903026

IUPACethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(OCC)c(CO)c1
InChIInChI=1S/C12H17NO4/c1-3-16-11-6-5-10(7-9(11)8-14)13-12(15)17-4-2/h5-7,14H,3-4,8H2,1-2H3,(H,13,15)
InChIKeyXIYVXPCADZELJU-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.15
Rot. Bonds5

About ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate

ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate (PubChem CID 54903026) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
PubChem CID54903026
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Nameethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(OCC)c(CO)c1
InChIInChI=1S/C12H17NO4/c1-3-16-11-6-5-10(7-9(11)8-14)13-12(15)17-4-2/h5-7,14H,3-4,8H2,1-2H3,(H,13,15)
InChIKeyXIYVXPCADZELJU-UHFFFAOYSA-N
XLogP2.15
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]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-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880153
2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide
CID 60980090
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 61013736
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 54903166
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide
CID 103513891
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 54880178
3-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880126
1-butyl-3-[4-ethoxy-3-(hydroxymethyl)phenyl]urea
CID 54903739
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide
CID 79191202

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate?
The IUPAC name of ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate (CID 54903026) is ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate is CCOC(=O)Nc1ccc(OCC)c(CO)c1.
What is the InChIKey of ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate?
The InChIKey is XIYVXPCADZELJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-16-11-6-5-10(7-9(11)8-14)13-12(15)17-4-2/h5-7,14H,3-4,8H2,1-2H3,(H,13,15).
What are the key properties of ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate?
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate has a molecular weight of 239.27 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate is sourced from PubChem (CID 54903026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).