[4-(methylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-methylcarbamate

C26H22N2O6 — CID 14302866

IUPAC[4-(methylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-methylcarbamate
SMILESCNC(=O)Oc1c(Oc2ccccc2)c(Oc2ccccc2)c(OC(=O)NC)c2ccccc12
InChIInChI=1S/C26H22N2O6/c1-27-25(29)33-21-19-15-9-10-16-20(19)22(34-26(30)28-2)24(32-18-13-7-4-8-14-18)23(21)31-17-11-5-3-6-12-17/h3-16H,1-2H3,(H,27,29)(H,28,30)
InChIKeyPHJWXAXCBAXPFM-UHFFFAOYSA-N
MW458.47 g/mol
LogP5.86
Rot. Bonds6

About [4-(methylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-methylcarbamate

[4-(methylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-methylcarbamate (PubChem CID 14302866) has the molecular formula C26H22N2O6 and a molecular weight of 458.47 g/mol. Its IUPAC name is [4-(methylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-methylcarbamate.

Molecular Properties

Compound Name[4-(methylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-methylcarbamate
PubChem CID14302866
Molecular FormulaC26H22N2O6
Molecular Weight458.47 g/mol
Exact Mass458.15
IUPAC Name[4-(methylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-methylcarbamate
SMILESCNC(=O)Oc1c(Oc2ccccc2)c(Oc2ccccc2)c(OC(=O)NC)c2ccccc12
InChIInChI=1S/C26H22N2O6/c1-27-25(29)33-21-19-15-9-10-16-20(19)22(34-26(30)28-2)24(32-18-13-7-4-8-14-18)23(21)31-17-11-5-3-6-12-17/h3-16H,1-2H3,(H,27,29)(H,28,30)
InChIKeyPHJWXAXCBAXPFM-UHFFFAOYSA-N
XLogP5.86
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.47
LogP ≤ 55.86
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
(4-butoxycarbonyloxy-2,3-diphenoxynaphthalen-1-yl) butyl carbonate
CID 19886882
(4-acetyloxy-2,3-diphenoxynaphthalen-1-yl) pentanoate
CID 23038618
(3-butyl-2,4-dimethoxynaphthalen-1-yl) N-methylcarbamate
CID 19873111
naphthalen-1-yl N-methylcarbamate
CID 23447097
hexan-2-one;pentan-2-one;phenyl N-methylcarbamate
CID 158958417
[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214
phenyl N-(methylamino)carbamate
CID 59676988
magnesium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173327127
calcium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173073118
(2-ethoxy-4-methoxynaphthalen-1-yl) N-methylcarbamate
CID 19872862
1,2,3,4,5-pentamethoxy-6-phenoxybenzene
CID 91516072

Frequently Asked Questions

What is the IUPAC name of [4-(methylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-methylcarbamate?
The IUPAC name of [4-(methylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-methylcarbamate (CID 14302866) is [4-(methylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-methylcarbamate.
What is the SMILES notation for [4-(methylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-methylcarbamate?
The canonical SMILES for [4-(methylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-methylcarbamate is CNC(=O)Oc1c(Oc2ccccc2)c(Oc2ccccc2)c(OC(=O)NC)c2ccccc12.
What is the InChIKey of [4-(methylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-methylcarbamate?
The InChIKey is PHJWXAXCBAXPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O6/c1-27-25(29)33-21-19-15-9-10-16-20(19)22(34-26(30)28-2)24(32-18-13-7-4-8-14-18)23(21)31-17-11-5-3-6-12-17/h3-16H,1-2H3,(H,27,29)(H,28,30).
What are the key properties of [4-(methylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-methylcarbamate?
[4-(methylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-methylcarbamate has a molecular weight of 458.47 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-methylcarbamate is sourced from PubChem (CID 14302866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).