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

C18H21NO3 — CID 6737224

IUPAC2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
SMILESCC(COC(=O)NCCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-14(16-5-3-2-4-6-16)13-22-18(21)19-12-11-15-7-9-17(20)10-8-15/h2-10,14,20H,11-13H2,1H3,(H,19,21)
InChIKeyPTQJBWVBJMBCQT-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.46
Rot. Bonds6

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

2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate (PubChem CID 6737224) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Name2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
PubChem CID6737224
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
SMILESCC(COC(=O)NCCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-14(16-5-3-2-4-6-16)13-22-18(21)19-12-11-15-7-9-17(20)10-8-15/h2-10,14,20H,11-13H2,1H3,(H,19,21)
InChIKeyPTQJBWVBJMBCQT-UHFFFAOYSA-N
XLogP3.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
(4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 162509952
3-amino-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpropanamide
CID 62878017
2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 61239080
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylbutanamide
CID 61018971
[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl] N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 140543896
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
CID 90974027
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpentanamide
CID 140983186
N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-pyrrol-1-ylacetamide
CID 121240272
methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate
CID 115190710
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
CID 20759703
[(2R)-2-phenylpropyl] 3-(4-methylphenyl)propanoate
CID 100981005

Frequently Asked Questions

What is the IUPAC name of 2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate?
The IUPAC name of 2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate (CID 6737224) is 2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate.
What is the SMILES notation for 2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate?
The canonical SMILES for 2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate is CC(COC(=O)NCCc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate?
The InChIKey is PTQJBWVBJMBCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14(16-5-3-2-4-6-16)13-22-18(21)19-12-11-15-7-9-17(20)10-8-15/h2-10,14,20H,11-13H2,1H3,(H,19,21).
What are the key properties of 2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate?
2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate has a molecular weight of 299.37 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate is sourced from PubChem (CID 6737224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).