tert-butyl N-[[2-methyl-4-(2-methylpropyl)-5-propan-2-ylphenyl]methyl]carbamate

C20H33NO2 — CID 69279574

IUPACtert-butyl N-[[2-methyl-4-(2-methylpropyl)-5-propan-2-ylphenyl]methyl]carbamate
SMILESCc1cc(CC(C)C)c(C(C)C)cc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C20H33NO2/c1-13(2)9-16-10-15(5)17(11-18(16)14(3)4)12-21-19(22)23-20(6,7)8/h10-11,13-14H,9,12H2,1-8H3,(H,21,22)
InChIKeyLZTLNOWZVSRGMB-UHFFFAOYSA-N
MW319.49 g/mol
LogP5.34
Rot. Bonds5

About tert-butyl N-[[2-methyl-4-(2-methylpropyl)-5-propan-2-ylphenyl]methyl]carbamate

tert-butyl N-[[2-methyl-4-(2-methylpropyl)-5-propan-2-ylphenyl]methyl]carbamate (PubChem CID 69279574) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is tert-butyl N-[[2-methyl-4-(2-methylpropyl)-5-propan-2-ylphenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-methyl-4-(2-methylpropyl)-5-propan-2-ylphenyl]methyl]carbamate
PubChem CID69279574
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Nametert-butyl N-[[2-methyl-4-(2-methylpropyl)-5-propan-2-ylphenyl]methyl]carbamate
SMILESCc1cc(CC(C)C)c(C(C)C)cc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C20H33NO2/c1-13(2)9-16-10-15(5)17(11-18(16)14(3)4)12-21-19(22)23-20(6,7)8/h10-11,13-14H,9,12H2,1-8H3,(H,21,22)
InChIKeyLZTLNOWZVSRGMB-UHFFFAOYSA-N
XLogP5.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-[[2-methyl-4-(2-methylpropyl)-5-propan-2-ylphenyl]methyl]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-[(4-hydroxy-2-methylphenyl)methyl]carbamate
CID 136664415
tert-butyl N-[(4-fluoro-2-methylphenyl)methyl]carbamate
CID 59483479
tert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 102545706
2-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]terephthalic acid
CID 118136708
tert-butyl N-[(4-ethynyl-2-methylphenyl)methyl]carbamate
CID 166459968
tert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate
CID 107248074
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
CID 110781243
tert-butyl N-[2-[1-(2,4,5-trimethylphenyl)ethylamino]ethyl]carbamate
CID 107241326
tert-butyl N-[(2-fluoro-4-methylphenyl)methyl]carbamate
CID 158865202
tert-butyl N-[[2-(3-methylbutylamino)phenyl]methyl]carbamate
CID 107247162
4-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzene-1,3-dicarboxylic acid
CID 150178200

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-methyl-4-(2-methylpropyl)-5-propan-2-ylphenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-methyl-4-(2-methylpropyl)-5-propan-2-ylphenyl]methyl]carbamate (CID 69279574) is tert-butyl N-[[2-methyl-4-(2-methylpropyl)-5-propan-2-ylphenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-methyl-4-(2-methylpropyl)-5-propan-2-ylphenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-methyl-4-(2-methylpropyl)-5-propan-2-ylphenyl]methyl]carbamate is Cc1cc(CC(C)C)c(C(C)C)cc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-methyl-4-(2-methylpropyl)-5-propan-2-ylphenyl]methyl]carbamate?
The InChIKey is LZTLNOWZVSRGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-13(2)9-16-10-15(5)17(11-18(16)14(3)4)12-21-19(22)23-20(6,7)8/h10-11,13-14H,9,12H2,1-8H3,(H,21,22).
What are the key properties of tert-butyl N-[[2-methyl-4-(2-methylpropyl)-5-propan-2-ylphenyl]methyl]carbamate?
tert-butyl N-[[2-methyl-4-(2-methylpropyl)-5-propan-2-ylphenyl]methyl]carbamate has a molecular weight of 319.49 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-methyl-4-(2-methylpropyl)-5-propan-2-ylphenyl]methyl]carbamate is sourced from PubChem (CID 69279574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).