[4-(cyclohexylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-cyclohexylcarbamate

C36H38N2O6 — CID 19886756

IUPAC[4-(cyclohexylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1c(Oc2ccccc2)c(Oc2ccccc2)c(OC(=O)NC2CCCCC2)c2ccccc12
InChIInChI=1S/C36H38N2O6/c39-35(37-25-15-5-1-6-16-25)43-31-29-23-13-14-24-30(29)32(44-36(40)38-26-17-7-2-8-18-26)34(42-28-21-11-4-12-22-28)33(31)41-27-19-9-3-10-20-27/h3-4,9-14,19-26H,1-2,5-8,15-18H2,(H,37,39)(H,38,40)
InChIKeyDEXCMGULZDPATI-UHFFFAOYSA-N
MW594.71 g/mol
LogP9.27
Rot. Bonds8

About [4-(cyclohexylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-cyclohexylcarbamate

[4-(cyclohexylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-cyclohexylcarbamate (PubChem CID 19886756) has the molecular formula C36H38N2O6 and a molecular weight of 594.71 g/mol. Its IUPAC name is [4-(cyclohexylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[4-(cyclohexylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-cyclohexylcarbamate
PubChem CID19886756
Molecular FormulaC36H38N2O6
Molecular Weight594.71 g/mol
Exact Mass594.27
IUPAC Name[4-(cyclohexylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1c(Oc2ccccc2)c(Oc2ccccc2)c(OC(=O)NC2CCCCC2)c2ccccc12
InChIInChI=1S/C36H38N2O6/c39-35(37-25-15-5-1-6-16-25)43-31-29-23-13-14-24-30(29)32(44-36(40)38-26-17-7-2-8-18-26)34(42-28-21-11-4-12-22-28)33(31)41-27-19-9-3-10-20-27/h3-4,9-14,19-26H,1-2,5-8,15-18H2,(H,37,39)(H,38,40)
InChIKeyDEXCMGULZDPATI-UHFFFAOYSA-N
XLogP9.27
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.71
LogP ≤ 59.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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[4-(cyclohexylcarbamoyloxy)-2,3-diethoxynaphthalen-1-yl] N-cyclohexylcarbamate
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(2,6-dichlorophenyl) N-cyclohexylcarbamate
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[4-(methylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-methylcarbamate
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(3-phenylphenyl) N-cyclopentylcarbamate
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phenyl N-(oxan-4-yl)carbamate
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N-cyclopentyl-3-phenoxybenzamide
CID 2684460

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-cyclohexylcarbamate?
The IUPAC name of [4-(cyclohexylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-cyclohexylcarbamate (CID 19886756) is [4-(cyclohexylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-cyclohexylcarbamate.
What is the SMILES notation for [4-(cyclohexylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-cyclohexylcarbamate?
The canonical SMILES for [4-(cyclohexylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-cyclohexylcarbamate is O=C(NC1CCCCC1)Oc1c(Oc2ccccc2)c(Oc2ccccc2)c(OC(=O)NC2CCCCC2)c2ccccc12.
What is the InChIKey of [4-(cyclohexylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-cyclohexylcarbamate?
The InChIKey is DEXCMGULZDPATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N2O6/c39-35(37-25-15-5-1-6-16-25)43-31-29-23-13-14-24-30(29)32(44-36(40)38-26-17-7-2-8-18-26)34(42-28-21-11-4-12-22-28)33(31)41-27-19-9-3-10-20-27/h3-4,9-14,19-26H,1-2,5-8,15-18H2,(H,37,39)(H,38,40).
What are the key properties of [4-(cyclohexylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-cyclohexylcarbamate?
[4-(cyclohexylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-cyclohexylcarbamate has a molecular weight of 594.71 g/mol, XLogP of 9.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-cyclohexylcarbamate is sourced from PubChem (CID 19886756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).