tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate

C20H32N2O2 — CID 113263051

IUPACtert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate
SMILESCc1ccc([C@H](C)NC2CCCC(NC(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C20H32N2O2/c1-14-9-11-16(12-10-14)15(2)21-17-7-6-8-18(13-17)22-19(23)24-20(3,4)5/h9-12,15,17-18,21H,6-8,13H2,1-5H3,(H,22,23)/t15-,17?,18?/m0/s1
InChIKeyCLPIWAOWVUNKEO-ZLPCBKJTSA-N
MW332.49 g/mol
LogP4.48
Rot. Bonds4

About tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate

tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate (PubChem CID 113263051) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate
PubChem CID113263051
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Nametert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate
SMILESCc1ccc([C@H](C)NC2CCCC(NC(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C20H32N2O2/c1-14-9-11-16(12-10-14)15(2)21-17-7-6-8-18(13-17)22-19(23)24-20(3,4)5/h9-12,15,17-18,21H,6-8,13H2,1-5H3,(H,22,23)/t15-,17?,18?/m0/s1
InChIKeyCLPIWAOWVUNKEO-ZLPCBKJTSA-N
XLogP4.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate
CID 103790111
tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate
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tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate
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tert-butyl N-[(1R,3S)-3-[[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]cyclohexyl]carbamate
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tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442
tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate
CID 103791676
tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate
CID 107239164
tert-butyl N-[(1S,3S,4S)-3-hydroxy-4-[[(1S)-1-phenylethyl]amino]cyclohexyl]carbamate
CID 126613815
tert-butyl N-[3-(2-fluoro-4-methylanilino)cyclohexyl]carbamate
CID 103720068
tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate
CID 103719879
tert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate
CID 107239026

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate (CID 113263051) is tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate is Cc1ccc([C@H](C)NC2CCCC(NC(=O)OC(C)(C)C)C2)cc1.
What is the InChIKey of tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate?
The InChIKey is CLPIWAOWVUNKEO-ZLPCBKJTSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-14-9-11-16(12-10-14)15(2)21-17-7-6-8-18(13-17)22-19(23)24-20(3,4)5/h9-12,15,17-18,21H,6-8,13H2,1-5H3,(H,22,23)/t15-,17?,18?/m0/s1.
What are the key properties of tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate?
tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate has a molecular weight of 332.49 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate is sourced from PubChem (CID 113263051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).