tert-butyl N-[3-methyl-1-[1-(3-methylphenyl)ethylamino]butan-2-yl]carbamate

C19H32N2O2 — CID 103711119

IUPACtert-butyl N-[3-methyl-1-[1-(3-methylphenyl)ethylamino]butan-2-yl]carbamate
SMILESCc1cccc(C(C)NCC(NC(=O)OC(C)(C)C)C(C)C)c1
InChIInChI=1S/C19H32N2O2/c1-13(2)17(21-18(22)23-19(5,6)7)12-20-15(4)16-10-8-9-14(3)11-16/h8-11,13,15,17,20H,12H2,1-7H3,(H,21,22)
InChIKeyDBWSILLSYBVIOD-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.19
Rot. Bonds6

About tert-butyl N-[3-methyl-1-[1-(3-methylphenyl)ethylamino]butan-2-yl]carbamate

tert-butyl N-[3-methyl-1-[1-(3-methylphenyl)ethylamino]butan-2-yl]carbamate (PubChem CID 103711119) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-1-[1-(3-methylphenyl)ethylamino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-1-[1-(3-methylphenyl)ethylamino]butan-2-yl]carbamate
PubChem CID103711119
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametert-butyl N-[3-methyl-1-[1-(3-methylphenyl)ethylamino]butan-2-yl]carbamate
SMILESCc1cccc(C(C)NCC(NC(=O)OC(C)(C)C)C(C)C)c1
InChIInChI=1S/C19H32N2O2/c1-13(2)17(21-18(22)23-19(5,6)7)12-20-15(4)16-10-8-9-14(3)11-16/h8-11,13,15,17,20H,12H2,1-7H3,(H,21,22)
InChIKeyDBWSILLSYBVIOD-UHFFFAOYSA-N
XLogP4.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[3-methyl-1-[1-(3-methylphenyl)ethylamino]butan-2-yl]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 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetate
CID 81361338
tert-butyl N-[(E)-4-[1-(3-methylphenyl)ethylamino]but-2-enyl]carbamate
CID 107253277
tert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate
CID 107251337
tert-butyl N-[bromo-(3-methylphenyl)methyl]carbamate
CID 140996578
tert-butyl N-[3-methyl-1-(2-phenylbutanoylamino)butan-2-yl]carbamate
CID 86956665
tert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate
CID 107243282
tert-butyl N-[1-[1-(3-bromophenyl)ethylamino]butan-2-yl]carbamate
CID 107250353
tert-butyl N-[1-[1-(3-cyanophenyl)ethylamino]propan-2-yl]carbamate
CID 102794771
tert-butyl N-[1-[1-(3-fluorophenyl)ethylamino]butan-2-yl]carbamate
CID 107250672
tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-1-phenylbutan-2-yl]carbamate
CID 69356868
2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid
CID 104644812
(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 93288092

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-1-[1-(3-methylphenyl)ethylamino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-1-[1-(3-methylphenyl)ethylamino]butan-2-yl]carbamate (CID 103711119) is tert-butyl N-[3-methyl-1-[1-(3-methylphenyl)ethylamino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-1-[1-(3-methylphenyl)ethylamino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-1-[1-(3-methylphenyl)ethylamino]butan-2-yl]carbamate is Cc1cccc(C(C)NCC(NC(=O)OC(C)(C)C)C(C)C)c1.
What is the InChIKey of tert-butyl N-[3-methyl-1-[1-(3-methylphenyl)ethylamino]butan-2-yl]carbamate?
The InChIKey is DBWSILLSYBVIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-13(2)17(21-18(22)23-19(5,6)7)12-20-15(4)16-10-8-9-14(3)11-16/h8-11,13,15,17,20H,12H2,1-7H3,(H,21,22).
What are the key properties of tert-butyl N-[3-methyl-1-[1-(3-methylphenyl)ethylamino]butan-2-yl]carbamate?
tert-butyl N-[3-methyl-1-[1-(3-methylphenyl)ethylamino]butan-2-yl]carbamate has a molecular weight of 320.48 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-1-[1-(3-methylphenyl)ethylamino]butan-2-yl]carbamate is sourced from PubChem (CID 103711119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).