benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate

C16H17NO3 — CID 14103856

IUPACbenzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
SMILESO=C(NCCc1ccc(O)cc1)OCc1ccccc1
InChIInChI=1S/C16H17NO3/c18-15-8-6-13(7-9-15)10-11-17-16(19)20-12-14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,17,19)
InChIKeyYMODWJQJBRHYIP-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.86
Rot. Bonds5

About benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate

benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate (PubChem CID 14103856) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
PubChem CID14103856
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namebenzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
SMILESO=C(NCCc1ccc(O)cc1)OCc1ccccc1
InChIInChI=1S/C16H17NO3/c18-15-8-6-13(7-9-15)10-11-17-16(19)20-12-14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,17,19)
InChIKeyYMODWJQJBRHYIP-UHFFFAOYSA-N
XLogP2.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzyl N-[2-(4-hydroxyphenyl)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

(4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 162509952
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
CID 90974027
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
benzyl N-[2-(4-ethynylphenyl)ethyl]carbamate
CID 138986465
benzyl N-[(4R)-5-amino-4-[2-(4-hydroxyphenyl)ethylamino]-5-oxopentyl]carbamate;hydrochloride
CID 70268668
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate
CID 14018351
2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 6737224
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
benzyl N-[2-(4-piperidin-4-ylphenyl)ethyl]carbamate
CID 165413642
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate (CID 14103856) is benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate is O=C(NCCc1ccc(O)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate?
The InChIKey is YMODWJQJBRHYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-15-8-6-13(7-9-15)10-11-17-16(19)20-12-14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,17,19).
What are the key properties of benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate?
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate has a molecular weight of 271.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate is sourced from PubChem (CID 14103856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).