2-hydroxyethyl N-(2-phenylpropyl)carbamate

C12H17NO3 — CID 20789

IUPAC2-hydroxyethyl N-(2-phenylpropyl)carbamate
SMILESCC(CNC(=O)OCCO)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-10(11-5-3-2-4-6-11)9-13-12(15)16-8-7-14/h2-6,10,14H,7-9H2,1H3,(H,13,15)
InChIKeyICWSHDGEMYAGOW-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.51
Rot. Bonds5

About 2-hydroxyethyl N-(2-phenylpropyl)carbamate

2-hydroxyethyl N-(2-phenylpropyl)carbamate (PubChem CID 20789) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-hydroxyethyl N-(2-phenylpropyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(2-phenylpropyl)carbamate
PubChem CID20789
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-hydroxyethyl N-(2-phenylpropyl)carbamate
SMILESCC(CNC(=O)OCCO)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-10(11-5-3-2-4-6-11)9-13-12(15)16-8-7-14/h2-6,10,14H,7-9H2,1H3,(H,13,15)
InChIKeyICWSHDGEMYAGOW-UHFFFAOYSA-N
XLogP1.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(2-phenylpropyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(2-phenylpropyl)carbamate (CID 20789) is 2-hydroxyethyl N-(2-phenylpropyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(2-phenylpropyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(2-phenylpropyl)carbamate is CC(CNC(=O)OCCO)c1ccccc1.
What is the InChIKey of 2-hydroxyethyl N-(2-phenylpropyl)carbamate?
The InChIKey is ICWSHDGEMYAGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-10(11-5-3-2-4-6-11)9-13-12(15)16-8-7-14/h2-6,10,14H,7-9H2,1H3,(H,13,15).
What are the key properties of 2-hydroxyethyl N-(2-phenylpropyl)carbamate?
2-hydroxyethyl N-(2-phenylpropyl)carbamate has a molecular weight of 223.27 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(2-phenylpropyl)carbamate is sourced from PubChem (CID 20789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).