tert-butyl N-[3-[[tert-butyl(ethyl)amino]methyl]-4-methylphenyl]carbamate

C19H32N2O2 — CID 163754261

IUPACtert-butyl N-[3-[[tert-butyl(ethyl)amino]methyl]-4-methylphenyl]carbamate
SMILESCCN(Cc1cc(NC(=O)OC(C)(C)C)ccc1C)C(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-9-21(18(3,4)5)13-15-12-16(11-10-14(15)2)20-17(22)23-19(6,7)8/h10-12H,9,13H2,1-8H3,(H,20,22)
InChIKeyLSQXUDWJJANGRM-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.96
Rot. Bonds4

About tert-butyl N-[3-[[tert-butyl(ethyl)amino]methyl]-4-methylphenyl]carbamate

tert-butyl N-[3-[[tert-butyl(ethyl)amino]methyl]-4-methylphenyl]carbamate (PubChem CID 163754261) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is tert-butyl N-[3-[[tert-butyl(ethyl)amino]methyl]-4-methylphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[tert-butyl(ethyl)amino]methyl]-4-methylphenyl]carbamate
PubChem CID163754261
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametert-butyl N-[3-[[tert-butyl(ethyl)amino]methyl]-4-methylphenyl]carbamate
SMILESCCN(Cc1cc(NC(=O)OC(C)(C)C)ccc1C)C(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-9-21(18(3,4)5)13-15-12-16(11-10-14(15)2)20-17(22)23-19(6,7)8/h10-12H,9,13H2,1-8H3,(H,20,22)
InChIKeyLSQXUDWJJANGRM-UHFFFAOYSA-N
XLogP4.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(hydroxymethyl)-4-methylphenyl]carbamate
CID 58614987
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-(3-amino-4-methylphenyl)carbamate;hydrobromide
CID 131885239
tert-butyl N-(3-isocyanato-4-methylphenyl)carbamate
CID 71331875
CID 164562081
CID 164562081
tert-butyl N-[3-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]-4-methylphenyl]carbamate
CID 168701818
tert-butyl N-(4-acetamido-3-methylphenyl)carbamate
CID 65142696
tert-butyl N-[3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-methylphenyl]carbamate;methane
CID 156752068
tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate
CID 63755474
tert-butyl N-[4-chloro-3-(diethylcarbamoyl)phenyl]carbamate
CID 46831746
tert-butyl N-[3-(chloromethyl)-4-ethoxyphenyl]carbamate
CID 114302920
tert-butyl N-(4-formyl-3-methylphenyl)carbamate
CID 84797413

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[tert-butyl(ethyl)amino]methyl]-4-methylphenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[tert-butyl(ethyl)amino]methyl]-4-methylphenyl]carbamate (CID 163754261) is tert-butyl N-[3-[[tert-butyl(ethyl)amino]methyl]-4-methylphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[tert-butyl(ethyl)amino]methyl]-4-methylphenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[tert-butyl(ethyl)amino]methyl]-4-methylphenyl]carbamate is CCN(Cc1cc(NC(=O)OC(C)(C)C)ccc1C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[[tert-butyl(ethyl)amino]methyl]-4-methylphenyl]carbamate?
The InChIKey is LSQXUDWJJANGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-9-21(18(3,4)5)13-15-12-16(11-10-14(15)2)20-17(22)23-19(6,7)8/h10-12H,9,13H2,1-8H3,(H,20,22).
What are the key properties of tert-butyl N-[3-[[tert-butyl(ethyl)amino]methyl]-4-methylphenyl]carbamate?
tert-butyl N-[3-[[tert-butyl(ethyl)amino]methyl]-4-methylphenyl]carbamate has a molecular weight of 320.48 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[tert-butyl(ethyl)amino]methyl]-4-methylphenyl]carbamate is sourced from PubChem (CID 163754261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).