tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate

C16H26N2O2 — CID 107239782

IUPACtert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
SMILESCC(C)(C)CNc1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-15(2,3)11-17-12-8-7-9-13(10-12)18-14(19)20-16(4,5)6/h7-10,17H,11H2,1-6H3,(H,18,19)
InChIKeyPWWYJBGMAGOYFS-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.49
Rot. Bonds3

About tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate

tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate (PubChem CID 107239782) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
PubChem CID107239782
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nametert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
SMILESCC(C)(C)CNc1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-15(2,3)11-17-12-8-7-9-13(10-12)18-14(19)20-16(4,5)6/h7-10,17H,11H2,1-6H3,(H,18,19)
InChIKeyPWWYJBGMAGOYFS-UHFFFAOYSA-N
XLogP4.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
CID 107239965
tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate
CID 139689119
tert-butyl N-(3-sulfanylphenyl)carbamate
CID 11436060
tert-butyl N-[3-[(2-aminophenyl)methylamino]phenyl]carbamate
CID 107239870
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
tert-butyl N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
CID 107240037
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
tert-butyl N-[3-[[5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]thiophene-2-carbonyl]amino]phenyl]carbamate
CID 166780032
tert-butyl N-[3-(3-chloroprop-1-enyl)phenyl]carbamate
CID 169478424
3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 6951350
tert-butyl N-[3-(carbamoyloxymethyl)phenyl]carbamate
CID 174964106
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoic acid
CID 72524578

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate (CID 107239782) is tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate is CC(C)(C)CNc1cccc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate?
The InChIKey is PWWYJBGMAGOYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-15(2,3)11-17-12-8-7-9-13(10-12)18-14(19)20-16(4,5)6/h7-10,17H,11H2,1-6H3,(H,18,19).
What are the key properties of tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate?
tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate has a molecular weight of 278.40 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate is sourced from PubChem (CID 107239782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).