tert-butyl N-[(1R)-2-[(3-methylcyclopentanecarbonyl)amino]cyclohexyl]carbamate

C18H32N2O3 — CID 158963051

IUPACtert-butyl N-[(1R)-2-[(3-methylcyclopentanecarbonyl)amino]cyclohexyl]carbamate
SMILESCC1CCC(C(=O)NC2CCCC[C@H]2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H32N2O3/c1-12-9-10-13(11-12)16(21)19-14-7-5-6-8-15(14)20-17(22)23-18(2,3)4/h12-15H,5-11H2,1-4H3,(H,19,21)(H,20,22)/t12?,13?,14?,15-/m1/s1
InChIKeyJMVZIKUGTNOFME-MLGYPOCJSA-N
MW324.46 g/mol
LogP3.37
Rot. Bonds3

About tert-butyl N-[(1R)-2-[(3-methylcyclopentanecarbonyl)amino]cyclohexyl]carbamate

tert-butyl N-[(1R)-2-[(3-methylcyclopentanecarbonyl)amino]cyclohexyl]carbamate (PubChem CID 158963051) has the molecular formula C18H32N2O3 and a molecular weight of 324.46 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-[(3-methylcyclopentanecarbonyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2-[(3-methylcyclopentanecarbonyl)amino]cyclohexyl]carbamate
PubChem CID158963051
Molecular FormulaC18H32N2O3
Molecular Weight324.46 g/mol
Exact Mass324.24
IUPAC Nametert-butyl N-[(1R)-2-[(3-methylcyclopentanecarbonyl)amino]cyclohexyl]carbamate
SMILESCC1CCC(C(=O)NC2CCCC[C@H]2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H32N2O3/c1-12-9-10-13(11-12)16(21)19-14-7-5-6-8-15(14)20-17(22)23-18(2,3)4/h12-15H,5-11H2,1-4H3,(H,19,21)(H,20,22)/t12?,13?,14?,15-/m1/s1
InChIKeyJMVZIKUGTNOFME-MLGYPOCJSA-N
XLogP3.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1R)-2-[(3-methylcyclopentanecarbonyl)amino]cyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1S,2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 147823872
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate
CID 154537617
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
CID 87320947
cis-methyl (1S,2R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 57132586

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-[(3-methylcyclopentanecarbonyl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2-[(3-methylcyclopentanecarbonyl)amino]cyclohexyl]carbamate (CID 158963051) is tert-butyl N-[(1R)-2-[(3-methylcyclopentanecarbonyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2-[(3-methylcyclopentanecarbonyl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2-[(3-methylcyclopentanecarbonyl)amino]cyclohexyl]carbamate is CC1CCC(C(=O)NC2CCCC[C@H]2NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(1R)-2-[(3-methylcyclopentanecarbonyl)amino]cyclohexyl]carbamate?
The InChIKey is JMVZIKUGTNOFME-MLGYPOCJSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-12-9-10-13(11-12)16(21)19-14-7-5-6-8-15(14)20-17(22)23-18(2,3)4/h12-15H,5-11H2,1-4H3,(H,19,21)(H,20,22)/t12?,13?,14?,15-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-2-[(3-methylcyclopentanecarbonyl)amino]cyclohexyl]carbamate?
tert-butyl N-[(1R)-2-[(3-methylcyclopentanecarbonyl)amino]cyclohexyl]carbamate has a molecular weight of 324.46 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2-[(3-methylcyclopentanecarbonyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 158963051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).