tert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate

C19H32N2O2 — CID 142664864

IUPACtert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate
SMILESCC[C@H](C)[C@@H](CNCc1ccccc1C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-7-14(2)17(21-18(22)23-19(4,5)6)13-20-12-16-11-9-8-10-15(16)3/h8-11,14,17,20H,7,12-13H2,1-6H3,(H,21,22)/t14-,17+/m0/s1
InChIKeyGVWPHJUBVVLWPB-WMLDXEAASA-N
MW320.48 g/mol
LogP4.02
Rot. Bonds7

About tert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate

tert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate (PubChem CID 142664864) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate
PubChem CID142664864
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate
SMILESCC[C@H](C)[C@@H](CNCc1ccccc1C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-7-14(2)17(21-18(22)23-19(4,5)6)13-20-12-16-11-9-8-10-15(16)3/h8-11,14,17,20H,7,12-13H2,1-6H3,(H,21,22)/t14-,17+/m0/s1
InChIKeyGVWPHJUBVVLWPB-WMLDXEAASA-N
XLogP4.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate
CID 142634434
methyl 2-[[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]methyl]benzoate
CID 113352366
3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol
CID 111118989
benzyl N-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 77305270
tert-butyl N-[1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate
CID 107248714
tert-butyl N-[4-(2-methylphenyl)-1-oxobutan-2-yl]carbamate
CID 84730312
2-(2-methylphenyl)-N-(2,2,4-trimethylhexan-3-yl)acetamide
CID 58709449
tert-butyl N-[1-(2-methylphenyl)-3-sulfanylpropan-2-yl]carbamate
CID 165466152
methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate
CID 60649455
tert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate
CID 103578618
3-methyl-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoic acid
CID 19078227
1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17293836

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate (CID 142664864) is tert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate is CC[C@H](C)[C@@H](CNCc1ccccc1C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate?
The InChIKey is GVWPHJUBVVLWPB-WMLDXEAASA-N. The full InChI is InChI=1S/C19H32N2O2/c1-7-14(2)17(21-18(22)23-19(4,5)6)13-20-12-16-11-9-8-10-15(16)3/h8-11,14,17,20H,7,12-13H2,1-6H3,(H,21,22)/t14-,17+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate?
tert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate has a molecular weight of 320.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate is sourced from PubChem (CID 142664864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).