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

C25H36N2O2 — CID 67266052

IUPACtert-butyl N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]carbamate
SMILESCC(C)(C)CNCC(CNC(=O)OC(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36N2O2/c1-23(2,3)17-26-18-25(20-13-9-7-10-14-20,21-15-11-8-12-16-21)19-27-22(28)29-24(4,5)6/h7-16,26H,17-19H2,1-6H3,(H,27,28)
InChIKeyVXZYIPPJGBUGNB-UHFFFAOYSA-N
MW396.58 g/mol
LogP5.13
Rot. Bonds7

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

tert-butyl N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]carbamate (PubChem CID 67266052) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is tert-butyl N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]carbamate
PubChem CID67266052
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Nametert-butyl N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]carbamate
SMILESCC(C)(C)CNCC(CNC(=O)OC(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36N2O2/c1-23(2,3)17-26-18-25(20-13-9-7-10-14-20,21-15-11-8-12-16-21)19-27-22(28)29-24(4,5)6/h7-16,26H,17-19H2,1-6H3,(H,27,28)
InChIKeyVXZYIPPJGBUGNB-UHFFFAOYSA-N
XLogP5.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate
CID 10891197
tert-butyl N-(5-methyl-2,2-diphenylhex-4-enyl)carbamate;5-methyl-2,2-diphenylhex-4-en-1-amine
CID 161106850
2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
CID 106489417
tert-butyl N-(anilinomethyl)carbamate
CID 87555144
methyl N-(2,2-diphenylpent-4-enyl)carbamate
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tert-butyl N-[2-(hydroxymethyl)-2-phenylhexyl]carbamate
CID 106508166
tert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate
CID 103389357
tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate
CID 107252614
tert-butyl N-(2-benzylsulfanyl-2-methylpropyl)carbamate
CID 67723796
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride
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tert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate
CID 71729413

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]carbamate (CID 67266052) is tert-butyl N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]carbamate is CC(C)(C)CNCC(CNC(=O)OC(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]carbamate?
The InChIKey is VXZYIPPJGBUGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-23(2,3)17-26-18-25(20-13-9-7-10-14-20,21-15-11-8-12-16-21)19-27-22(28)29-24(4,5)6/h7-16,26H,17-19H2,1-6H3,(H,27,28).
What are the key properties of tert-butyl N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]carbamate?
tert-butyl N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]carbamate has a molecular weight of 396.58 g/mol, XLogP of 5.13, 7 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)-2,2-diphenylpropyl]carbamate is sourced from PubChem (CID 67266052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).