tert-butyl N-[2-(3-acetylphenyl)ethyl]-N-ethylcarbamate

C17H25NO3 — CID 134948984

IUPACtert-butyl N-[2-(3-acetylphenyl)ethyl]-N-ethylcarbamate
SMILESCCN(CCc1cccc(C(C)=O)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO3/c1-6-18(16(20)21-17(3,4)5)11-10-14-8-7-9-15(12-14)13(2)19/h7-9,12H,6,10-11H2,1-5H3
InChIKeyQSCUZQHOROYJRF-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.69
Rot. Bonds5

About tert-butyl N-[2-(3-acetylphenyl)ethyl]-N-ethylcarbamate

tert-butyl N-[2-(3-acetylphenyl)ethyl]-N-ethylcarbamate (PubChem CID 134948984) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl N-[2-(3-acetylphenyl)ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-acetylphenyl)ethyl]-N-ethylcarbamate
PubChem CID134948984
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nametert-butyl N-[2-(3-acetylphenyl)ethyl]-N-ethylcarbamate
SMILESCCN(CCc1cccc(C(C)=O)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO3/c1-6-18(16(20)21-17(3,4)5)11-10-14-8-7-9-15(12-14)13(2)19/h7-9,12H,6,10-11H2,1-5H3
InChIKeyQSCUZQHOROYJRF-UHFFFAOYSA-N
XLogP3.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-acetylphenyl)ethyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[2-(3-acetylphenyl)ethyl]-N-ethylcarbamate (CID 134948984) is tert-butyl N-[2-(3-acetylphenyl)ethyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(3-acetylphenyl)ethyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[2-(3-acetylphenyl)ethyl]-N-ethylcarbamate is CCN(CCc1cccc(C(C)=O)c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(3-acetylphenyl)ethyl]-N-ethylcarbamate?
The InChIKey is QSCUZQHOROYJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-6-18(16(20)21-17(3,4)5)11-10-14-8-7-9-15(12-14)13(2)19/h7-9,12H,6,10-11H2,1-5H3.
What are the key properties of tert-butyl N-[2-(3-acetylphenyl)ethyl]-N-ethylcarbamate?
tert-butyl N-[2-(3-acetylphenyl)ethyl]-N-ethylcarbamate has a molecular weight of 291.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-acetylphenyl)ethyl]-N-ethylcarbamate is sourced from PubChem (CID 134948984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).