tert-butyl N-[3-(4-methylphenyl)propyl]carbamate

C15H23NO2 — CID 142219168

IUPACtert-butyl N-[3-(4-methylphenyl)propyl]carbamate
SMILESCc1ccc(CCCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-12-7-9-13(10-8-12)6-5-11-16-14(17)18-15(2,3)4/h7-10H,5-6,11H2,1-4H3,(H,16,17)
InChIKeyIFCAYEOYYSCVIQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.45
Rot. Bonds4

About tert-butyl N-[3-(4-methylphenyl)propyl]carbamate

tert-butyl N-[3-(4-methylphenyl)propyl]carbamate (PubChem CID 142219168) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is tert-butyl N-[3-(4-methylphenyl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-methylphenyl)propyl]carbamate
PubChem CID142219168
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nametert-butyl N-[3-(4-methylphenyl)propyl]carbamate
SMILESCc1ccc(CCCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-12-7-9-13(10-8-12)6-5-11-16-14(17)18-15(2,3)4/h7-10H,5-6,11H2,1-4H3,(H,16,17)
InChIKeyIFCAYEOYYSCVIQ-UHFFFAOYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(4-aminophenyl)propyl]carbamate
CID 39353167
tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate
CID 11716285
tert-butyl N-[[4-(3-hydrazinylpropyl)phenyl]methyl]carbamate
CID 142209832
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 22337080
tert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate
CID 11500545
tert-butyl N-[2-(4-methylphenyl)sulfonylethyl]carbamate
CID 67213765
tert-butyl N-[2-[4-(4-aminobutyl)anilino]ethyl]carbamate
CID 58664817
tert-butyl N-[6-(4-methylpyridin-1-ium-1-yl)hexyl]carbamate
CID 68563528
tert-butyl N-[3-[3-[3-(4-methylphenyl)propanoylamino]anilino]-3-oxopropyl]carbamate
CID 108920089
tert-butyl N-[2-[4-(4-iodophenyl)butanoylamino]ethyl]carbamate
CID 177072985
tert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate
CID 162639917

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-methylphenyl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-methylphenyl)propyl]carbamate (CID 142219168) is tert-butyl N-[3-(4-methylphenyl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-methylphenyl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-methylphenyl)propyl]carbamate is Cc1ccc(CCCNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[3-(4-methylphenyl)propyl]carbamate?
The InChIKey is IFCAYEOYYSCVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-7-9-13(10-8-12)6-5-11-16-14(17)18-15(2,3)4/h7-10H,5-6,11H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[3-(4-methylphenyl)propyl]carbamate?
tert-butyl N-[3-(4-methylphenyl)propyl]carbamate has a molecular weight of 249.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-methylphenyl)propyl]carbamate is sourced from PubChem (CID 142219168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).