cyclohexyl N-[3-[[4-[4-[[5-(cyclohexyloxycarbonylamino)-2-methylcyclohexyl]carbamoylamino]-2-methoxycyclohexyl]-3-methoxycyclohexyl]carbamoylamino]-4-methylcyclohexyl]carbamate

C44H76N6O8 — CID 140544948

IUPACcyclohexyl N-[3-[[4-[4-[[5-(cyclohexyloxycarbonylamino)-2-methylcyclohexyl]carbamoylamino]-2-methoxycyclohexyl]-3-methoxycyclohexyl]carbamoylamino]-4-methylcyclohexyl]carbamate
SMILESCOC1CC(NC(=O)NC2CC(NC(=O)OC3CCCCC3)CCC2C)CCC1C1CCC(NC(=O)NC2CC(NC(=O)OC3CCCCC3)CCC2C)CC1OC
InChIInChI=1S/C44H76N6O8/c1-27-15-17-29(47-43(53)57-33-11-7-5-8-12-33)23-37(27)49-41(51)45-31-19-21-35(39(25-31)55-3)36-22-20-32(26-40(36)56-4)46-42(52)50-38-24-30(18-16-28(38)2)48-44(54)58-34-13-9-6-10-14-34/h27-40H,5-26H2,1-4H3,(H,47,53)(H,48,54)(H2,45,49,51)(H2,46,50,52)
InChIKeyHFVBCSWQCQTMSF-UHFFFAOYSA-N
MW817.13 g/mol
LogP7.18
Rot. Bonds11

About cyclohexyl N-[3-[[4-[4-[[5-(cyclohexyloxycarbonylamino)-2-methylcyclohexyl]carbamoylamino]-2-methoxycyclohexyl]-3-methoxycyclohexyl]carbamoylamino]-4-methylcyclohexyl]carbamate

cyclohexyl N-[3-[[4-[4-[[5-(cyclohexyloxycarbonylamino)-2-methylcyclohexyl]carbamoylamino]-2-methoxycyclohexyl]-3-methoxycyclohexyl]carbamoylamino]-4-methylcyclohexyl]carbamate (PubChem CID 140544948) has the molecular formula C44H76N6O8 and a molecular weight of 817.13 g/mol. Its IUPAC name is cyclohexyl N-[3-[[4-[4-[[5-(cyclohexyloxycarbonylamino)-2-methylcyclohexyl]carbamoylamino]-2-methoxycyclohexyl]-3-methoxycyclohexyl]carbamoylamino]-4-methylcyclohexyl]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[3-[[4-[4-[[5-(cyclohexyloxycarbonylamino)-2-methylcyclohexyl]carbamoylamino]-2-methoxycyclohexyl]-3-methoxycyclohexyl]carbamoylamino]-4-methylcyclohexyl]carbamate
PubChem CID140544948
Molecular FormulaC44H76N6O8
Molecular Weight817.13 g/mol
Exact Mass816.57
IUPAC Namecyclohexyl N-[3-[[4-[4-[[5-(cyclohexyloxycarbonylamino)-2-methylcyclohexyl]carbamoylamino]-2-methoxycyclohexyl]-3-methoxycyclohexyl]carbamoylamino]-4-methylcyclohexyl]carbamate
SMILESCOC1CC(NC(=O)NC2CC(NC(=O)OC3CCCCC3)CCC2C)CCC1C1CCC(NC(=O)NC2CC(NC(=O)OC3CCCCC3)CCC2C)CC1OC
InChIInChI=1S/C44H76N6O8/c1-27-15-17-29(47-43(53)57-33-11-7-5-8-12-33)23-37(27)49-41(51)45-31-19-21-35(39(25-31)55-3)36-22-20-32(26-40(36)56-4)46-42(52)50-38-24-30(18-16-28(38)2)48-44(54)58-34-13-9-6-10-14-34/h27-40H,5-26H2,1-4H3,(H,47,53)(H,48,54)(H2,45,49,51)(H2,46,50,52)
InChIKeyHFVBCSWQCQTMSF-UHFFFAOYSA-N
XLogP7.18
TPSA177.38 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500817.13
LogP ≤ 57.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze cyclohexyl N-[3-[[4-[4-[[5-(cyclohexyloxycarbonylamino)-2-methylcyclohexyl]carbamoylamino]-2-methoxycyclohexyl]-3-methoxycyclohexyl]carbamoylamino]-4-methylcyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

cyclohexyl N-[3-[[4-[4-[[3-(cyclohexyloxycarbonylamino)-4-methylcyclohexyl]carbamoylamino]cyclohexyl]sulfonylcyclohexyl]carbamoylamino]-4-methylcyclohexyl]carbamate
CID 140544938
cyclohexyl N-[3-[[4-[[4-[[3-(cyclohexyloxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexanecarbonyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 140544932
cyclohexyl N-cyclopentylcarbamate
CID 127539095
cyclododecyl N-cyclobutylcarbamate
CID 135210614
cyclohexyl N-(oxetan-3-yl)carbamate
CID 150702100
1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea
CID 3446591
cyclopentyl N-(oxetan-3-yl)carbamate
CID 129131220
2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64817335
methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 144980876
(4,4-dimethylcycloheptyl) N-cyclohexylcarbamate
CID 91190672
[(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid
CID 146636200
cyclohexyl N-ethylcarbamate
CID 22978796

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[3-[[4-[4-[[5-(cyclohexyloxycarbonylamino)-2-methylcyclohexyl]carbamoylamino]-2-methoxycyclohexyl]-3-methoxycyclohexyl]carbamoylamino]-4-methylcyclohexyl]carbamate?
The IUPAC name of cyclohexyl N-[3-[[4-[4-[[5-(cyclohexyloxycarbonylamino)-2-methylcyclohexyl]carbamoylamino]-2-methoxycyclohexyl]-3-methoxycyclohexyl]carbamoylamino]-4-methylcyclohexyl]carbamate (CID 140544948) is cyclohexyl N-[3-[[4-[4-[[5-(cyclohexyloxycarbonylamino)-2-methylcyclohexyl]carbamoylamino]-2-methoxycyclohexyl]-3-methoxycyclohexyl]carbamoylamino]-4-methylcyclohexyl]carbamate.
What is the SMILES notation for cyclohexyl N-[3-[[4-[4-[[5-(cyclohexyloxycarbonylamino)-2-methylcyclohexyl]carbamoylamino]-2-methoxycyclohexyl]-3-methoxycyclohexyl]carbamoylamino]-4-methylcyclohexyl]carbamate?
The canonical SMILES for cyclohexyl N-[3-[[4-[4-[[5-(cyclohexyloxycarbonylamino)-2-methylcyclohexyl]carbamoylamino]-2-methoxycyclohexyl]-3-methoxycyclohexyl]carbamoylamino]-4-methylcyclohexyl]carbamate is COC1CC(NC(=O)NC2CC(NC(=O)OC3CCCCC3)CCC2C)CCC1C1CCC(NC(=O)NC2CC(NC(=O)OC3CCCCC3)CCC2C)CC1OC.
What is the InChIKey of cyclohexyl N-[3-[[4-[4-[[5-(cyclohexyloxycarbonylamino)-2-methylcyclohexyl]carbamoylamino]-2-methoxycyclohexyl]-3-methoxycyclohexyl]carbamoylamino]-4-methylcyclohexyl]carbamate?
The InChIKey is HFVBCSWQCQTMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H76N6O8/c1-27-15-17-29(47-43(53)57-33-11-7-5-8-12-33)23-37(27)49-41(51)45-31-19-21-35(39(25-31)55-3)36-22-20-32(26-40(36)56-4)46-42(52)50-38-24-30(18-16-28(38)2)48-44(54)58-34-13-9-6-10-14-34/h27-40H,5-26H2,1-4H3,(H,47,53)(H,48,54)(H2,45,49,51)(H2,46,50,52).
What are the key properties of cyclohexyl N-[3-[[4-[4-[[5-(cyclohexyloxycarbonylamino)-2-methylcyclohexyl]carbamoylamino]-2-methoxycyclohexyl]-3-methoxycyclohexyl]carbamoylamino]-4-methylcyclohexyl]carbamate?
cyclohexyl N-[3-[[4-[4-[[5-(cyclohexyloxycarbonylamino)-2-methylcyclohexyl]carbamoylamino]-2-methoxycyclohexyl]-3-methoxycyclohexyl]carbamoylamino]-4-methylcyclohexyl]carbamate has a molecular weight of 817.13 g/mol, XLogP of 7.18, 11 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[3-[[4-[4-[[5-(cyclohexyloxycarbonylamino)-2-methylcyclohexyl]carbamoylamino]-2-methoxycyclohexyl]-3-methoxycyclohexyl]carbamoylamino]-4-methylcyclohexyl]carbamate is sourced from PubChem (CID 140544948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).