tert-butyl N-[1-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]cyclopentyl]carbamate

C22H40N2O4 — CID 118308073

IUPACtert-butyl N-[1-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]cyclopentyl]carbamate
SMILESCC1CCC(C(C)C)C(OC(=O)NC2CCCC2(C)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C22H40N2O4/c1-14(2)16-11-10-15(3)13-17(16)27-19(25)23-18-9-8-12-22(18,7)24-20(26)28-21(4,5)6/h14-18H,8-13H2,1-7H3,(H,23,25)(H,24,26)
InChIKeySQBAOCABMLQQNB-UHFFFAOYSA-N
MW396.57 g/mol
LogP5.01
Rot. Bonds4

About tert-butyl N-[1-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]cyclopentyl]carbamate

tert-butyl N-[1-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]cyclopentyl]carbamate (PubChem CID 118308073) has the molecular formula C22H40N2O4 and a molecular weight of 396.57 g/mol. Its IUPAC name is tert-butyl N-[1-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]cyclopentyl]carbamate
PubChem CID118308073
Molecular FormulaC22H40N2O4
Molecular Weight396.57 g/mol
Exact Mass396.30
IUPAC Nametert-butyl N-[1-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]cyclopentyl]carbamate
SMILESCC1CCC(C(C)C)C(OC(=O)NC2CCCC2(C)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C22H40N2O4/c1-14(2)16-11-10-15(3)13-17(16)27-19(25)23-18-9-8-12-22(18,7)24-20(26)28-21(4,5)6/h14-18H,8-13H2,1-7H3,(H,23,25)(H,24,26)
InChIKeySQBAOCABMLQQNB-UHFFFAOYSA-N
XLogP5.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.57
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]cyclopentyl]carbamate with MolForge

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Related Compounds

[(5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]carbamate
CID 141462771
[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate
CID 54670369
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-3-acetyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
CID 11122480
tert-butyl N-(1,2-dimethylcyclopentyl)carbamate
CID 118317015
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate
CID 92975131
[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-hydroxypropanoate
CID 42531163
1-O-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,3S)-2,3-dihydroxybutanedioate
CID 11887456
(5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate
CID 62822105
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dimethylpropanoate
CID 12738090
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-hydroxyethyl)carbamate
CID 46893858
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,3R)-2,3-bis(tert-butylamino)butanedioate
CID 101239741
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138995

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[1-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]cyclopentyl]carbamate (CID 118308073) is tert-butyl N-[1-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[1-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]cyclopentyl]carbamate is CC1CCC(C(C)C)C(OC(=O)NC2CCCC2(C)NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[1-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]cyclopentyl]carbamate?
The InChIKey is SQBAOCABMLQQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O4/c1-14(2)16-11-10-15(3)13-17(16)27-19(25)23-18-9-8-12-22(18,7)24-20(26)28-21(4,5)6/h14-18H,8-13H2,1-7H3,(H,23,25)(H,24,26).
What are the key properties of tert-butyl N-[1-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]cyclopentyl]carbamate?
tert-butyl N-[1-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]cyclopentyl]carbamate has a molecular weight of 396.57 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]cyclopentyl]carbamate is sourced from PubChem (CID 118308073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).