tert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate

C18H29NO2 — CID 142596019

IUPACtert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate
SMILESCCC(C)Cc1cccc(CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H29NO2/c1-6-14(2)12-16-9-7-8-15(13-16)10-11-19-17(20)21-18(3,4)5/h7-9,13-14H,6,10-12H2,1-5H3,(H,19,20)
InChIKeyKWMLFVALYOLGKJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.34
Rot. Bonds6

About tert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate

tert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate (PubChem CID 142596019) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate
PubChem CID142596019
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Nametert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate
SMILESCCC(C)Cc1cccc(CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H29NO2/c1-6-14(2)12-16-9-7-8-15(13-16)10-11-19-17(20)21-18(3,4)5/h7-9,13-14H,6,10-12H2,1-5H3,(H,19,20)
InChIKeyKWMLFVALYOLGKJ-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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tert-butyl N-(2-phenylethyl)carbamate;ethane
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tert-butyl N-[2-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate
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tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate (CID 142596019) is tert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate is CCC(C)Cc1cccc(CCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate?
The InChIKey is KWMLFVALYOLGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-14(2)12-16-9-7-8-15(13-16)10-11-19-17(20)21-18(3,4)5/h7-9,13-14H,6,10-12H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate?
tert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate has a molecular weight of 291.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate is sourced from PubChem (CID 142596019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).