tert-butyl N-[(2S,3S)-1-[(6-bromonaphthalen-2-yl)amino]-3-methylpentan-2-yl]carbamate

C21H29BrN2O2 — CID 67437669

IUPACtert-butyl N-[(2S,3S)-1-[(6-bromonaphthalen-2-yl)amino]-3-methylpentan-2-yl]carbamate
SMILESCC[C@H](C)[C@@H](CNc1ccc2cc(Br)ccc2c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C21H29BrN2O2/c1-6-14(2)19(24-20(25)26-21(3,4)5)13-23-18-10-8-15-11-17(22)9-7-16(15)12-18/h7-12,14,19,23H,6,13H2,1-5H3,(H,24,25)/t14-,19+/m0/s1
InChIKeyGMYQCANEIXYPGO-IFXJQAMLSA-N
MW421.38 g/mol
LogP5.95
Rot. Bonds6

About tert-butyl N-[(2S,3S)-1-[(6-bromonaphthalen-2-yl)amino]-3-methylpentan-2-yl]carbamate

tert-butyl N-[(2S,3S)-1-[(6-bromonaphthalen-2-yl)amino]-3-methylpentan-2-yl]carbamate (PubChem CID 67437669) has the molecular formula C21H29BrN2O2 and a molecular weight of 421.38 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-1-[(6-bromonaphthalen-2-yl)amino]-3-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-1-[(6-bromonaphthalen-2-yl)amino]-3-methylpentan-2-yl]carbamate
PubChem CID67437669
Molecular FormulaC21H29BrN2O2
Molecular Weight421.38 g/mol
Exact Mass420.14
IUPAC Nametert-butyl N-[(2S,3S)-1-[(6-bromonaphthalen-2-yl)amino]-3-methylpentan-2-yl]carbamate
SMILESCC[C@H](C)[C@@H](CNc1ccc2cc(Br)ccc2c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C21H29BrN2O2/c1-6-14(2)19(24-20(25)26-21(3,4)5)13-23-18-10-8-15-11-17(22)9-7-16(15)12-18/h7-12,14,19,23H,6,13H2,1-5H3,(H,24,25)/t14-,19+/m0/s1
InChIKeyGMYQCANEIXYPGO-IFXJQAMLSA-N
XLogP5.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.38
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2S,3S)-1-[(6-bromonaphthalen-2-yl)amino]-3-methylpentan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2R,3S)-6-amino-2-[(6-bromonaphthalen-2-yl)methoxy]-6-oxohexan-3-yl]carbamate
CID 155188907
tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate
CID 142634434
2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 81266788
3-methyl-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoic acid
CID 19078227
1-[(6-bromonaphthalen-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 81260100
2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 80973341
tert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate
CID 142664864
tert-butyl N-[1-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-yl]carbamate
CID 107250497
methyl (2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate
CID 10736256
tert-butyl N-[1-[1-(3-bromophenyl)ethylamino]butan-2-yl]carbamate
CID 107250353
benzyl N-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 77305270
tert-butyl N-[(1R)-1-(4-bromophenyl)ethyl]carbamate
CID 52987808

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-1-[(6-bromonaphthalen-2-yl)amino]-3-methylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-1-[(6-bromonaphthalen-2-yl)amino]-3-methylpentan-2-yl]carbamate (CID 67437669) is tert-butyl N-[(2S,3S)-1-[(6-bromonaphthalen-2-yl)amino]-3-methylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-1-[(6-bromonaphthalen-2-yl)amino]-3-methylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-1-[(6-bromonaphthalen-2-yl)amino]-3-methylpentan-2-yl]carbamate is CC[C@H](C)[C@@H](CNc1ccc2cc(Br)ccc2c1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3S)-1-[(6-bromonaphthalen-2-yl)amino]-3-methylpentan-2-yl]carbamate?
The InChIKey is GMYQCANEIXYPGO-IFXJQAMLSA-N. The full InChI is InChI=1S/C21H29BrN2O2/c1-6-14(2)19(24-20(25)26-21(3,4)5)13-23-18-10-8-15-11-17(22)9-7-16(15)12-18/h7-12,14,19,23H,6,13H2,1-5H3,(H,24,25)/t14-,19+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-1-[(6-bromonaphthalen-2-yl)amino]-3-methylpentan-2-yl]carbamate?
tert-butyl N-[(2S,3S)-1-[(6-bromonaphthalen-2-yl)amino]-3-methylpentan-2-yl]carbamate has a molecular weight of 421.38 g/mol, XLogP of 5.95, 6 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)-1-[(6-bromonaphthalen-2-yl)amino]-3-methylpentan-2-yl]carbamate is sourced from PubChem (CID 67437669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).