tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate

C15H23NO2 — CID 20739774

IUPACtert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
SMILESCC(C)c1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)13-8-6-12(7-9-13)10-16-14(17)18-15(3,4)5/h6-9,11H,10H2,1-5H3,(H,16,17)
InChIKeyFQXVSLLHCHBJDA-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.83
Rot. Bonds3

About tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate

tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate (PubChem CID 20739774) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
PubChem CID20739774
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nametert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
SMILESCC(C)c1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)13-8-6-12(7-9-13)10-16-14(17)18-15(3,4)5/h6-9,11H,10H2,1-5H3,(H,16,17)
InChIKeyFQXVSLLHCHBJDA-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[[4-(2,3-dimethylbutanoyl)phenyl]methyl]carbamate
CID 139474554
2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylamino]propanoic acid
CID 107244230
tert-butyl N-[[4-[(3-methylbutylamino)methyl]phenyl]methyl]carbamate
CID 107244304
tert-butyl N-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]methyl]carbamate
CID 58495494
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
2-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 112605367
2,2,2-trifluoroethyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 61382490
methanidyl-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]azanium
CID 87107169
tert-butyl N-[[4-[(S)-methylsulfinyl]phenyl]methyl]carbamate
CID 95974235
tert-butyl N-[(4-ethenylphenyl)methyl]carbamate
CID 86169082
tert-butyl N-[[4-(cyanomethyl)phenyl]methyl]carbamate
CID 131850271
tert-butyl N-[[4-[(diaminoamino)methyl]phenyl]methyl]carbamate
CID 166772321

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate (CID 20739774) is tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate is CC(C)c1ccc(CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate?
The InChIKey is FQXVSLLHCHBJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)13-8-6-12(7-9-13)10-16-14(17)18-15(3,4)5/h6-9,11H,10H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate?
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate has a molecular weight of 249.35 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate is sourced from PubChem (CID 20739774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).