tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate

C16H23NO2 — CID 71758365

IUPACtert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1ccc(C2CC2)cc1
InChIInChI=1S/C16H23NO2/c1-11(17-15(18)19-16(2,3)4)12-5-7-13(8-6-12)14-9-10-14/h5-8,11,14H,9-10H2,1-4H3,(H,17,18)
InChIKeyOOLVDDHJQZDXQB-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.15
Rot. Bonds3

About tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate

tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate (PubChem CID 71758365) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate
PubChem CID71758365
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nametert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1ccc(C2CC2)cc1
InChIInChI=1S/C16H23NO2/c1-11(17-15(18)19-16(2,3)4)12-5-7-13(8-6-12)14-9-10-14/h5-8,11,14H,9-10H2,1-4H3,(H,17,18)
InChIKeyOOLVDDHJQZDXQB-UHFFFAOYSA-N
XLogP4.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1S)-1-(4-chlorophenyl)ethyl]carbamate
CID 81353770
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-bromophenyl)ethyl]carbamate;sulfane
CID 158971973
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-[1-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 58393122
tert-butyl N-[(1S)-1-(4-cyanophenyl)ethyl]carbamate
CID 59462304
tert-butyl N-[(1S)-1-[4-(1-hydroxypropyl)phenyl]ethyl]carbamate
CID 59861757
tert-butyl N-[1-[4-(chloromethyl)phenyl]ethyl]carbamate
CID 89479163
tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate
CID 10516674
(2S)-3-(4-cyclopropylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 172894241
tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate
CID 86708265

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate (CID 71758365) is tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate is CC(NC(=O)OC(C)(C)C)c1ccc(C2CC2)cc1.
What is the InChIKey of tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate?
The InChIKey is OOLVDDHJQZDXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(17-15(18)19-16(2,3)4)12-5-7-13(8-6-12)14-9-10-14/h5-8,11,14H,9-10H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate?
tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate has a molecular weight of 261.37 g/mol, XLogP of 4.15, 3 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-cyclopropylphenyl)ethyl]carbamate is sourced from PubChem (CID 71758365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).