2-methylpropyl N-[2-(3-tert-butylphenyl)ethyl]carbamate

C17H27NO2 — CID 157372388

IUPAC2-methylpropyl N-[2-(3-tert-butylphenyl)ethyl]carbamate
SMILESCC(C)COC(=O)NCCc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H27NO2/c1-13(2)12-20-16(19)18-10-9-14-7-6-8-15(11-14)17(3,4)5/h6-8,11,13H,9-10,12H2,1-5H3,(H,18,19)
InChIKeyBJXNCMVMJMCCDO-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.91
Rot. Bonds5

About 2-methylpropyl N-[2-(3-tert-butylphenyl)ethyl]carbamate

2-methylpropyl N-[2-(3-tert-butylphenyl)ethyl]carbamate (PubChem CID 157372388) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methylpropyl N-[2-(3-tert-butylphenyl)ethyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-(3-tert-butylphenyl)ethyl]carbamate
PubChem CID157372388
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-methylpropyl N-[2-(3-tert-butylphenyl)ethyl]carbamate
SMILESCC(C)COC(=O)NCCc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H27NO2/c1-13(2)12-20-16(19)18-10-9-14-7-6-8-15(11-14)17(3,4)5/h6-8,11,13H,9-10,12H2,1-5H3,(H,18,19)
InChIKeyBJXNCMVMJMCCDO-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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tert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate
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2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate
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(2S)-2-amino-3-(3-tert-butylphenyl)propanoic acid;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-(3-tert-butylphenyl)ethyl]carbamate?
The IUPAC name of 2-methylpropyl N-[2-(3-tert-butylphenyl)ethyl]carbamate (CID 157372388) is 2-methylpropyl N-[2-(3-tert-butylphenyl)ethyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[2-(3-tert-butylphenyl)ethyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[2-(3-tert-butylphenyl)ethyl]carbamate is CC(C)COC(=O)NCCc1cccc(C(C)(C)C)c1.
What is the InChIKey of 2-methylpropyl N-[2-(3-tert-butylphenyl)ethyl]carbamate?
The InChIKey is BJXNCMVMJMCCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)12-20-16(19)18-10-9-14-7-6-8-15(11-14)17(3,4)5/h6-8,11,13H,9-10,12H2,1-5H3,(H,18,19).
What are the key properties of 2-methylpropyl N-[2-(3-tert-butylphenyl)ethyl]carbamate?
2-methylpropyl N-[2-(3-tert-butylphenyl)ethyl]carbamate has a molecular weight of 277.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-(3-tert-butylphenyl)ethyl]carbamate is sourced from PubChem (CID 157372388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).