tert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate

C19H32N2O2 — CID 107249252

IUPACtert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate
SMILESCc1cc(C)c(CNC(C)(C)CNC(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C19H32N2O2/c1-13-9-14(2)16(15(3)10-13)11-21-19(7,8)12-20-17(22)23-18(4,5)6/h9-10,21H,11-12H2,1-8H3,(H,20,22)
InChIKeyJSQCXMDJAWZCCD-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.00
Rot. Bonds5

About tert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate

tert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate (PubChem CID 107249252) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate
PubChem CID107249252
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate
SMILESCc1cc(C)c(CNC(C)(C)CNC(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C19H32N2O2/c1-13-9-14(2)16(15(3)10-13)11-21-19(7,8)12-20-17(22)23-18(4,5)6/h9-10,21H,11-12H2,1-8H3,(H,20,22)
InChIKeyJSQCXMDJAWZCCD-UHFFFAOYSA-N
XLogP4.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate
CID 107249231
tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 25239151
tert-butyl N-[2-[(5-chloro-2-fluorophenyl)methylamino]-2-methylpropyl]carbamate
CID 103844995
tert-butyl N-[2-[(2,3-dihydroxyphenyl)methylamino]-2-methylpropyl]carbamate
CID 107249254
tert-butyl N-[2-[(3-bromo-4-hydroxyphenyl)methylamino]-2-methylpropyl]carbamate
CID 107249155
tert-butyl N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate
CID 103851551
tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate
CID 103851547
tert-butyl N-[2-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropyl]carbamate
CID 107249263
tert-butyl N-[2-(cyanomethylamino)-2-methylpropyl]carbamate
CID 131182277
tert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate
CID 103527141
tert-butyl N-[2-methyl-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propyl]carbamate
CID 107249153
tert-butyl N-[[4-(N'-methoxycarbamimidoyl)-2,6-dimethylphenyl]methyl]carbamate
CID 154502422

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate (CID 107249252) is tert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate is Cc1cc(C)c(CNC(C)(C)CNC(=O)OC(C)(C)C)c(C)c1.
What is the InChIKey of tert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate?
The InChIKey is JSQCXMDJAWZCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-13-9-14(2)16(15(3)10-13)11-21-19(7,8)12-20-17(22)23-18(4,5)6/h9-10,21H,11-12H2,1-8H3,(H,20,22).
What are the key properties of tert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate?
tert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate has a molecular weight of 320.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate is sourced from PubChem (CID 107249252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).