tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate

C17H27NO2 — CID 10516674

IUPACtert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate
SMILESCC(C)Cc1ccc(C(C)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)11-14-7-9-15(10-8-14)13(3)18-16(19)20-17(4,5)6/h7-10,12-13H,11H2,1-6H3,(H,18,19)
InChIKeyPHERFUAORGXPOV-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.47
Rot. Bonds4

About tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate

tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate (PubChem CID 10516674) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate
PubChem CID10516674
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nametert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate
SMILESCC(C)Cc1ccc(C(C)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)11-14-7-9-15(10-8-14)13(3)18-16(19)20-17(4,5)6/h7-10,12-13H,11H2,1-6H3,(H,18,19)
InChIKeyPHERFUAORGXPOV-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[1-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 58393122
tert-butyl N-[1-[4-(chloromethyl)phenyl]ethyl]carbamate
CID 89479163
tert-butyl N-[(1R)-1-(4-bromophenyl)ethyl]carbamate
CID 52987808
tert-butyl N-[1-(4-fluorophenyl)ethyl]carbamate
CID 63787964
tert-butyl N-[(1S)-1-(4-chlorophenyl)ethyl]carbamate
CID 81353770
tert-butyl N-[(1S)-1-[4-(1-hydroxypropyl)phenyl]ethyl]carbamate
CID 59861757
tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]carbamate;sulfane
CID 158971973
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-[4-[4-(2-methylpropyl)phenyl]-4-oxobutan-2-yl]carbamate
CID 104855091
tert-butyl N-[1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]ethyl]carbamate
CID 123928269
tert-butyl N-[(1S)-1-(4-cyanophenyl)ethyl]carbamate
CID 59462304
tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate
CID 71758365

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate (CID 10516674) is tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate is CC(C)Cc1ccc(C(C)NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate?
The InChIKey is PHERFUAORGXPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)11-14-7-9-15(10-8-14)13(3)18-16(19)20-17(4,5)6/h7-10,12-13H,11H2,1-6H3,(H,18,19).
What are the key properties of tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate?
tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate has a molecular weight of 277.41 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate is sourced from PubChem (CID 10516674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).