tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate

C18H27NO2 — CID 139378150

IUPACtert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate
SMILESCc1cccc([C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C18H27NO2/c1-13-7-5-8-14(11-13)15-9-6-10-16(12-15)19-17(20)21-18(2,3)4/h5,7-8,11,15-16H,6,9-10,12H2,1-4H3,(H,19,20)/t15-,16+/m0/s1
InChIKeyKDLQFRMXPHRTBV-JKSUJKDBSA-N
MW289.42 g/mol
LogP4.55
Rot. Bonds2

About tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate

tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate (PubChem CID 139378150) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate
PubChem CID139378150
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Nametert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate
SMILESCc1cccc([C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C18H27NO2/c1-13-7-5-8-14(11-13)15-9-6-10-16(12-15)19-17(20)21-18(2,3)4/h5,7-8,11,15-16H,6,9-10,12H2,1-4H3,(H,19,20)/t15-,16+/m0/s1
InChIKeyKDLQFRMXPHRTBV-JKSUJKDBSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate
CID 112544293
tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate
CID 139378275
tert-butyl N-[(1R,3S)-3-(4-chlorophenyl)cyclohexyl]carbamate
CID 139378065
tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate
CID 79461940
tert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate
CID 125450247
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate
CID 139378064
tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate
CID 103715317
tert-butyl N-[3-(2-fluoro-4-methylanilino)cyclohexyl]carbamate
CID 103720068
tert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate
CID 113247856
tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate
CID 113263051
tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate
CID 99620412

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate (CID 139378150) is tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate is Cc1cccc([C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate?
The InChIKey is KDLQFRMXPHRTBV-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-7-5-8-14(11-13)15-9-6-10-16(12-15)19-17(20)21-18(2,3)4/h5,7-8,11,15-16H,6,9-10,12H2,1-4H3,(H,19,20)/t15-,16+/m0/s1.
What are the key properties of tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate?
tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate has a molecular weight of 289.42 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate is sourced from PubChem (CID 139378150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).