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

C17H28N2O2 — CID 71729413

IUPACtert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate
SMILESCC(C)(C)CNCc1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-16(2,3)12-18-11-13-9-7-8-10-14(13)19-15(20)21-17(4,5)6/h7-10,18H,11-12H2,1-6H3,(H,19,20)
InChIKeyDEOWICUKYQLUHO-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.17
Rot. Bonds4

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

tert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate (PubChem CID 71729413) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate
PubChem CID71729413
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nametert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate
SMILESCC(C)(C)CNCc1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-16(2,3)12-18-11-13-9-7-8-10-14(13)19-15(20)21-17(4,5)6/h7-10,18H,11-12H2,1-6H3,(H,19,20)
InChIKeyDEOWICUKYQLUHO-UHFFFAOYSA-N
XLogP4.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[(propan-2-ylamino)methyl]phenyl]carbamate
CID 59237466
tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate
CID 23021010
tert-butyl N-(2-formylphenyl)carbamate;tert-butyl N-[2-(hydroxymethyl)phenyl]carbamate
CID 160681330
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate
CID 115644655
tert-butyl N-[2-[[2-fluoro-3-(hydroxymethyl)-4-methylanilino]methyl]phenyl]carbamate
CID 165145218
tert-butyl N-[1-[(2-aminophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249937
tert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate
CID 24763845
tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate
CID 134839697
8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-oxooctanoic acid
CID 58119937
tert-butyl N-[2-(azetidin-2-ylmethyl)phenyl]carbamate
CID 84710803
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
CID 107248645

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate (CID 71729413) is tert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate is CC(C)(C)CNCc1ccccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate?
The InChIKey is DEOWICUKYQLUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-16(2,3)12-18-11-13-9-7-8-10-14(13)19-15(20)21-17(4,5)6/h7-10,18H,11-12H2,1-6H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate?
tert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate has a molecular weight of 292.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate is sourced from PubChem (CID 71729413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).