cyclohexyl N-[3-[[4-[[4-[[3-(cyclohexyloxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexanecarbonyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate

C41H69N7O7 — CID 140544932

IUPACcyclohexyl N-[3-[[4-[[4-[[3-(cyclohexyloxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexanecarbonyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate
SMILESO=C(NC1CCC(NC(=O)C2CCC(NC(=O)NC3CCCC(NC(=O)OC4CCCCC4)C3)CC2)CC1)NC1CCCC(NC(=O)OC2CCCCC2)C1
InChIInChI=1S/C41H69N7O7/c49-37(27-17-19-29(20-18-27)43-38(50)45-31-9-7-11-33(25-31)47-40(52)54-35-13-3-1-4-14-35)42-28-21-23-30(24-22-28)44-39(51)46-32-10-8-12-34(26-32)48-41(53)55-36-15-5-2-6-16-36/h27-36H,1-26H2,(H,42,49)(H,47,52)(H,48,53)(H2,43,45,50)(H2,44,46,51)
InChIKeyXAUPPANHPOLWDB-UHFFFAOYSA-N
MW772.04 g/mol
LogP6.31
Rot. Bonds10

About cyclohexyl N-[3-[[4-[[4-[[3-(cyclohexyloxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexanecarbonyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate

cyclohexyl N-[3-[[4-[[4-[[3-(cyclohexyloxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexanecarbonyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate (PubChem CID 140544932) has the molecular formula C41H69N7O7 and a molecular weight of 772.04 g/mol. Its IUPAC name is cyclohexyl N-[3-[[4-[[4-[[3-(cyclohexyloxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexanecarbonyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[3-[[4-[[4-[[3-(cyclohexyloxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexanecarbonyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate
PubChem CID140544932
Molecular FormulaC41H69N7O7
Molecular Weight772.04 g/mol
Exact Mass771.53
IUPAC Namecyclohexyl N-[3-[[4-[[4-[[3-(cyclohexyloxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexanecarbonyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate
SMILESO=C(NC1CCC(NC(=O)C2CCC(NC(=O)NC3CCCC(NC(=O)OC4CCCCC4)C3)CC2)CC1)NC1CCCC(NC(=O)OC2CCCCC2)C1
InChIInChI=1S/C41H69N7O7/c49-37(27-17-19-29(20-18-27)43-38(50)45-31-9-7-11-33(25-31)47-40(52)54-35-13-3-1-4-14-35)42-28-21-23-30(24-22-28)44-39(51)46-32-10-8-12-34(26-32)48-41(53)55-36-15-5-2-6-16-36/h27-36H,1-26H2,(H,42,49)(H,47,52)(H,48,53)(H2,43,45,50)(H2,44,46,51)
InChIKeyXAUPPANHPOLWDB-UHFFFAOYSA-N
XLogP6.31
TPSA188.02 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500772.04
LogP ≤ 56.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze cyclohexyl N-[3-[[4-[[4-[[3-(cyclohexyloxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexanecarbonyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate with MolForge

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Related Compounds

cyclododecyl N-cyclobutylcarbamate
CID 135210614
cyclohexyl N-cyclopentylcarbamate
CID 127539095
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclopentylcyclobutanecarboxamide
CID 21158774
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-cyclopropylcyclohexanecarboxamide
CID 3412875
1-cyclobutyl-3-cyclohexylurea
CID 17217147
cyclohexyl N-[3-[[4-[4-[[3-(cyclohexyloxycarbonylamino)-4-methylcyclohexyl]carbamoylamino]cyclohexyl]sulfonylcyclohexyl]carbamoylamino]-4-methylcyclohexyl]carbamate
CID 140544938
cyclohexyl N-(oxetan-3-yl)carbamate
CID 150702100
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[3-[[4-[[4-[[3-(cyclohexyloxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexanecarbonyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate?
The IUPAC name of cyclohexyl N-[3-[[4-[[4-[[3-(cyclohexyloxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexanecarbonyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate (CID 140544932) is cyclohexyl N-[3-[[4-[[4-[[3-(cyclohexyloxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexanecarbonyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate.
What is the SMILES notation for cyclohexyl N-[3-[[4-[[4-[[3-(cyclohexyloxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexanecarbonyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate?
The canonical SMILES for cyclohexyl N-[3-[[4-[[4-[[3-(cyclohexyloxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexanecarbonyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate is O=C(NC1CCC(NC(=O)C2CCC(NC(=O)NC3CCCC(NC(=O)OC4CCCCC4)C3)CC2)CC1)NC1CCCC(NC(=O)OC2CCCCC2)C1.
What is the InChIKey of cyclohexyl N-[3-[[4-[[4-[[3-(cyclohexyloxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexanecarbonyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate?
The InChIKey is XAUPPANHPOLWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H69N7O7/c49-37(27-17-19-29(20-18-27)43-38(50)45-31-9-7-11-33(25-31)47-40(52)54-35-13-3-1-4-14-35)42-28-21-23-30(24-22-28)44-39(51)46-32-10-8-12-34(26-32)48-41(53)55-36-15-5-2-6-16-36/h27-36H,1-26H2,(H,42,49)(H,47,52)(H,48,53)(H2,43,45,50)(H2,44,46,51).
What are the key properties of cyclohexyl N-[3-[[4-[[4-[[3-(cyclohexyloxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexanecarbonyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate?
cyclohexyl N-[3-[[4-[[4-[[3-(cyclohexyloxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexanecarbonyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate has a molecular weight of 772.04 g/mol, XLogP of 6.31, 10 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[3-[[4-[[4-[[3-(cyclohexyloxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexanecarbonyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate is sourced from PubChem (CID 140544932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).