tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate

C23H40N2O5 — CID 174499135

IUPACtert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)CCCCC1
InChIInChI=1S/C23H40N2O5/c1-20(2,3)29-18(27)24-22(13-9-7-10-14-22)17(26)23(15-11-8-12-16-23)25-19(28)30-21(4,5)6/h7-16H2,1-6H3,(H,24,27)(H,25,28)
InChIKeyOUGLPRHZKWMBEP-UHFFFAOYSA-N
MW424.58 g/mol
LogP5.01
Rot. Bonds4

About tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate

tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate (PubChem CID 174499135) has the molecular formula C23H40N2O5 and a molecular weight of 424.58 g/mol. Its IUPAC name is tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate
PubChem CID174499135
Molecular FormulaC23H40N2O5
Molecular Weight424.58 g/mol
Exact Mass424.29
IUPAC Nametert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)CCCCC1
InChIInChI=1S/C23H40N2O5/c1-20(2,3)29-18(27)24-22(13-9-7-10-14-22)17(26)23(15-11-8-12-16-23)25-19(28)30-21(4,5)6/h7-16H2,1-6H3,(H,24,27)(H,25,28)
InChIKeyOUGLPRHZKWMBEP-UHFFFAOYSA-N
XLogP5.01
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.58
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylate
CID 59614777
tert-butyl N-[1-[(1-cyanocyclopropyl)carbamoyl]cycloheptyl]carbamate
CID 140895251
tert-butyl N-[1-(1-hydroxyethenyl)cyclopropyl]carbamate
CID 70266871
tert-butyl N-(1-carbamothioylcyclopropyl)carbamate
CID 58431174
tert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate
CID 143355257
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-4-carboxylic acid
CID 40630548
[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] formate
CID 57097698
[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooctyl] formate
CID 135186594
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.4]heptane-2-carboxylate
CID 129452599
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate
CID 99988243
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
CID 56990247

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate (CID 174499135) is tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1(C(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)CCCCC1.
What is the InChIKey of tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate?
The InChIKey is OUGLPRHZKWMBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O5/c1-20(2,3)29-18(27)24-22(13-9-7-10-14-22)17(26)23(15-11-8-12-16-23)25-19(28)30-21(4,5)6/h7-16H2,1-6H3,(H,24,27)(H,25,28).
What are the key properties of tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate?
tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate has a molecular weight of 424.58 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate is sourced from PubChem (CID 174499135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).