tert-butyl N-(4-propan-2-ylphenyl)carbamate

C14H21NO2 — CID 10868278

IUPACtert-butyl N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-10(2)11-6-8-12(9-7-11)15-13(16)17-14(3,4)5/h6-10H,1-5H3,(H,15,16)
InChIKeyNCHDHQDKQJSFMC-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.16
Rot. Bonds2

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

tert-butyl N-(4-propan-2-ylphenyl)carbamate (PubChem CID 10868278) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is tert-butyl N-(4-propan-2-ylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-propan-2-ylphenyl)carbamate
PubChem CID10868278
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nametert-butyl N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-10(2)11-6-8-12(9-7-11)15-13(16)17-14(3,4)5/h6-10H,1-5H3,(H,15,16)
InChIKeyNCHDHQDKQJSFMC-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate
CID 113017853
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate
CID 113354871
tert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate
CID 107253386
tert-butyl N-[[4-oxo-4-(4-propan-2-ylanilino)butan-2-ylidene]amino]carbamate
CID 4566860
tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
CID 138469738
tert-butyl N-[4-[2-(dimethylamino)-1-[methyl(propan-2-yl)amino]-2-oxoethyl]phenyl]carbamate
CID 70792857
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate
CID 112987837
tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate
CID 107253394
tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate
CID 155206873
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-propan-2-ylphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-propan-2-ylphenyl)carbamate (CID 10868278) is tert-butyl N-(4-propan-2-ylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-propan-2-ylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-propan-2-ylphenyl)carbamate is CC(C)c1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-(4-propan-2-ylphenyl)carbamate?
The InChIKey is NCHDHQDKQJSFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)11-6-8-12(9-7-11)15-13(16)17-14(3,4)5/h6-10H,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-(4-propan-2-ylphenyl)carbamate?
tert-butyl N-(4-propan-2-ylphenyl)carbamate has a molecular weight of 235.33 g/mol, XLogP of 4.16, 2 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)carbamate is sourced from PubChem (CID 10868278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).