2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate

C12H17NO4 — CID 79346129

IUPAC2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate
SMILESCOCc1ccccc1CNC(=O)OCCO
InChIInChI=1S/C12H17NO4/c1-16-9-11-5-3-2-4-10(11)8-13-12(15)17-7-6-14/h2-5,14H,6-9H2,1H3,(H,13,15)
InChIKeyXWBCKJZXWGJPCR-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.05
Rot. Bonds6

About 2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate

2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate (PubChem CID 79346129) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate
PubChem CID79346129
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate
SMILESCOCc1ccccc1CNC(=O)OCCO
InChIInChI=1S/C12H17NO4/c1-16-9-11-5-3-2-4-10(11)8-13-12(15)17-7-6-14/h2-5,14H,6-9H2,1H3,(H,13,15)
InChIKeyXWBCKJZXWGJPCR-UHFFFAOYSA-N
XLogP1.05
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]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

1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
2-hydroxyethyl N-[[2-(trifluoromethyl)phenyl]methyl]carbamate
CID 79349053
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide
CID 62473216
2-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylacetamide
CID 60924991
N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide
CID 55096555
N-[[2-(methoxymethyl)phenyl]methyl]but-2-enamide
CID 112725954
2-hydroxyethyl N-[(3-ethyl-2-pyridinyl)methyl]carbamate
CID 82744779
2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide
CID 65229949
1-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine
CID 62359144
2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride
CID 119956519
7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide
CID 60924992

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate (CID 79346129) is 2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate is COCc1ccccc1CNC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate?
The InChIKey is XWBCKJZXWGJPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-16-9-11-5-3-2-4-10(11)8-13-12(15)17-7-6-14/h2-5,14H,6-9H2,1H3,(H,13,15).
What are the key properties of 2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate?
2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate has a molecular weight of 239.27 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 79346129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).