1-adamantyl N-[2-(1-adamantyloxycarbonylamino)cyclohexyl]carbamate

C28H42N2O4 — CID 171722179

IUPAC1-adamantyl N-[2-(1-adamantyloxycarbonylamino)cyclohexyl]carbamate
SMILESO=C(NC1CCCCC1NC(=O)OC12CC3CC(CC(C3)C1)C2)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H42N2O4/c31-25(33-27-11-17-5-18(12-27)7-19(6-17)13-27)29-23-3-1-2-4-24(23)30-26(32)34-28-14-20-8-21(15-28)10-22(9-20)16-28/h17-24H,1-16H2,(H,29,31)(H,30,32)
InChIKeyLTXOSLJGNSIVLF-UHFFFAOYSA-N
MW470.65 g/mol
LogP5.69
Rot. Bonds4

About 1-adamantyl N-[2-(1-adamantyloxycarbonylamino)cyclohexyl]carbamate

1-adamantyl N-[2-(1-adamantyloxycarbonylamino)cyclohexyl]carbamate (PubChem CID 171722179) has the molecular formula C28H42N2O4 and a molecular weight of 470.65 g/mol. Its IUPAC name is 1-adamantyl N-[2-(1-adamantyloxycarbonylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Name1-adamantyl N-[2-(1-adamantyloxycarbonylamino)cyclohexyl]carbamate
PubChem CID171722179
Molecular FormulaC28H42N2O4
Molecular Weight470.65 g/mol
Exact Mass470.31
IUPAC Name1-adamantyl N-[2-(1-adamantyloxycarbonylamino)cyclohexyl]carbamate
SMILESO=C(NC1CCCCC1NC(=O)OC12CC3CC(CC(C3)C1)C2)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H42N2O4/c31-25(33-27-11-17-5-18(12-27)7-19(6-17)13-27)29-23-3-1-2-4-24(23)30-26(32)34-28-14-20-8-21(15-28)10-22(9-20)16-28/h17-24H,1-16H2,(H,29,31)(H,30,32)
InChIKeyLTXOSLJGNSIVLF-UHFFFAOYSA-N
XLogP5.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.65
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-adamantyl N-(2-methyl-4-oxooxetan-3-yl)carbamate
CID 123227831
2-O-(1-adamantyl) 1-O-cyclohexyl oxalate
CID 57291435
bis(1-adamantyl) 3-oxopentanedioate
CID 101111352
sodium;1-adamantyl acetate;hydride
CID 174617949
1-adamantyl amino carbonate
CID 69008372
1-adamantyl 2,2-difluoroacetate
CID 58225853
1-adamantyl N-(4-aminophenyl)carbamate
CID 89196644
1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate
CID 68502130
N-[4-(adamantane-1-carbonylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]adamantane-1-carboxamide
CID 171722406
N-[2-[[C-(1-adamantyl)-N-methylcarbonimidoyl]amino]cyclohexyl]-N'-methyladamantane-1-carboximidamide
CID 171722549
bis(1-adamantyl) 2,4-dimethyl-3-oxopentanedioate
CID 10972269
1-adamantyl 2-aminoprop-2-enoate
CID 159464561

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl N-[2-(1-adamantyloxycarbonylamino)cyclohexyl]carbamate?
The IUPAC name of 1-adamantyl N-[2-(1-adamantyloxycarbonylamino)cyclohexyl]carbamate (CID 171722179) is 1-adamantyl N-[2-(1-adamantyloxycarbonylamino)cyclohexyl]carbamate.
What is the SMILES notation for 1-adamantyl N-[2-(1-adamantyloxycarbonylamino)cyclohexyl]carbamate?
The canonical SMILES for 1-adamantyl N-[2-(1-adamantyloxycarbonylamino)cyclohexyl]carbamate is O=C(NC1CCCCC1NC(=O)OC12CC3CC(CC(C3)C1)C2)OC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl N-[2-(1-adamantyloxycarbonylamino)cyclohexyl]carbamate?
The InChIKey is LTXOSLJGNSIVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O4/c31-25(33-27-11-17-5-18(12-27)7-19(6-17)13-27)29-23-3-1-2-4-24(23)30-26(32)34-28-14-20-8-21(15-28)10-22(9-20)16-28/h17-24H,1-16H2,(H,29,31)(H,30,32).
What are the key properties of 1-adamantyl N-[2-(1-adamantyloxycarbonylamino)cyclohexyl]carbamate?
1-adamantyl N-[2-(1-adamantyloxycarbonylamino)cyclohexyl]carbamate has a molecular weight of 470.65 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl N-[2-(1-adamantyloxycarbonylamino)cyclohexyl]carbamate is sourced from PubChem (CID 171722179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).