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

C28H38N2O6 — CID 19886806

IUPAC[4-(cyclohexylcarbamoyloxy)-2,3-diethoxynaphthalen-1-yl] N-cyclohexylcarbamate
SMILESCCOc1c(OCC)c(OC(=O)NC2CCCCC2)c2ccccc2c1OC(=O)NC1CCCCC1
InChIInChI=1S/C28H38N2O6/c1-3-33-25-23(35-27(31)29-19-13-7-5-8-14-19)21-17-11-12-18-22(21)24(26(25)34-4-2)36-28(32)30-20-15-9-6-10-16-20/h11-12,17-20H,3-10,13-16H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyIPHBPGQVDGIZJH-UHFFFAOYSA-N
MW498.62 g/mol
LogP6.48
Rot. Bonds8

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

[4-(cyclohexylcarbamoyloxy)-2,3-diethoxynaphthalen-1-yl] N-cyclohexylcarbamate (PubChem CID 19886806) has the molecular formula C28H38N2O6 and a molecular weight of 498.62 g/mol. Its IUPAC name is [4-(cyclohexylcarbamoyloxy)-2,3-diethoxynaphthalen-1-yl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[4-(cyclohexylcarbamoyloxy)-2,3-diethoxynaphthalen-1-yl] N-cyclohexylcarbamate
PubChem CID19886806
Molecular FormulaC28H38N2O6
Molecular Weight498.62 g/mol
Exact Mass498.27
IUPAC Name[4-(cyclohexylcarbamoyloxy)-2,3-diethoxynaphthalen-1-yl] N-cyclohexylcarbamate
SMILESCCOc1c(OCC)c(OC(=O)NC2CCCCC2)c2ccccc2c1OC(=O)NC1CCCCC1
InChIInChI=1S/C28H38N2O6/c1-3-33-25-23(35-27(31)29-19-13-7-5-8-14-19)21-17-11-12-18-22(21)24(26(25)34-4-2)36-28(32)30-20-15-9-6-10-16-20/h11-12,17-20H,3-10,13-16H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyIPHBPGQVDGIZJH-UHFFFAOYSA-N
XLogP6.48
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.62
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(cyclohexylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-cyclohexylcarbamate
CID 19886756
cyclohexyl (4-cyclohexyloxycarbonyloxy-2,3-diethoxynaphthalen-1-yl) carbonate
CID 19886830
(2,6-dichlorophenyl) N-cyclohexylcarbamate
CID 134113156
phenyl N-cyclooctylcarbamate
CID 60636968
phenyl N-cyclopentylcarbamate
CID 12791466
1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea
CID 108884395
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
N-cyclohexyl-2-ethoxy-3-methoxybenzamide
CID 2988102
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
N-cyclohexyl-N'-(2-ethoxyphenyl)oxamide
CID 7585382
(6-ethylnaphthalen-2-yl) N-cyclohexylcarbamate
CID 11098519
N-cyclopentyl-2,6-diethoxybenzamide
CID 118034872

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylcarbamoyloxy)-2,3-diethoxynaphthalen-1-yl] N-cyclohexylcarbamate?
The IUPAC name of [4-(cyclohexylcarbamoyloxy)-2,3-diethoxynaphthalen-1-yl] N-cyclohexylcarbamate (CID 19886806) is [4-(cyclohexylcarbamoyloxy)-2,3-diethoxynaphthalen-1-yl] N-cyclohexylcarbamate.
What is the SMILES notation for [4-(cyclohexylcarbamoyloxy)-2,3-diethoxynaphthalen-1-yl] N-cyclohexylcarbamate?
The canonical SMILES for [4-(cyclohexylcarbamoyloxy)-2,3-diethoxynaphthalen-1-yl] N-cyclohexylcarbamate is CCOc1c(OCC)c(OC(=O)NC2CCCCC2)c2ccccc2c1OC(=O)NC1CCCCC1.
What is the InChIKey of [4-(cyclohexylcarbamoyloxy)-2,3-diethoxynaphthalen-1-yl] N-cyclohexylcarbamate?
The InChIKey is IPHBPGQVDGIZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O6/c1-3-33-25-23(35-27(31)29-19-13-7-5-8-14-19)21-17-11-12-18-22(21)24(26(25)34-4-2)36-28(32)30-20-15-9-6-10-16-20/h11-12,17-20H,3-10,13-16H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of [4-(cyclohexylcarbamoyloxy)-2,3-diethoxynaphthalen-1-yl] N-cyclohexylcarbamate?
[4-(cyclohexylcarbamoyloxy)-2,3-diethoxynaphthalen-1-yl] N-cyclohexylcarbamate has a molecular weight of 498.62 g/mol, XLogP of 6.48, 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-diethoxynaphthalen-1-yl] N-cyclohexylcarbamate is sourced from PubChem (CID 19886806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).