[2,3-diethoxy-6,7-dimethyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate

C20H26N2O6 — CID 19886641

IUPAC[2,3-diethoxy-6,7-dimethyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate
SMILESCCOc1c(OCC)c(OC(=O)NC)c2cc(C)c(C)cc2c1OC(=O)NC
InChIInChI=1S/C20H26N2O6/c1-7-25-17-15(27-19(23)21-5)13-9-11(3)12(4)10-14(13)16(18(17)26-8-2)28-20(24)22-6/h9-10H,7-8H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyQYEQIYMMZUCYSR-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.69
Rot. Bonds6

About [2,3-diethoxy-6,7-dimethyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate

[2,3-diethoxy-6,7-dimethyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate (PubChem CID 19886641) has the molecular formula C20H26N2O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is [2,3-diethoxy-6,7-dimethyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate.

Molecular Properties

Compound Name[2,3-diethoxy-6,7-dimethyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate
PubChem CID19886641
Molecular FormulaC20H26N2O6
Molecular Weight390.44 g/mol
Exact Mass390.18
IUPAC Name[2,3-diethoxy-6,7-dimethyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate
SMILESCCOc1c(OCC)c(OC(=O)NC)c2cc(C)c(C)cc2c1OC(=O)NC
InChIInChI=1S/C20H26N2O6/c1-7-25-17-15(27-19(23)21-5)13-9-11(3)12(4)10-14(13)16(18(17)26-8-2)28-20(24)22-6/h9-10H,7-8H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyQYEQIYMMZUCYSR-UHFFFAOYSA-N
XLogP3.69
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2,3-diethoxy-6,7-dimethyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate?
The IUPAC name of [2,3-diethoxy-6,7-dimethyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate (CID 19886641) is [2,3-diethoxy-6,7-dimethyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate.
What is the SMILES notation for [2,3-diethoxy-6,7-dimethyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate?
The canonical SMILES for [2,3-diethoxy-6,7-dimethyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate is CCOc1c(OCC)c(OC(=O)NC)c2cc(C)c(C)cc2c1OC(=O)NC.
What is the InChIKey of [2,3-diethoxy-6,7-dimethyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate?
The InChIKey is QYEQIYMMZUCYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6/c1-7-25-17-15(27-19(23)21-5)13-9-11(3)12(4)10-14(13)16(18(17)26-8-2)28-20(24)22-6/h9-10H,7-8H2,1-6H3,(H,21,23)(H,22,24).
What are the key properties of [2,3-diethoxy-6,7-dimethyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate?
[2,3-diethoxy-6,7-dimethyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate has a molecular weight of 390.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-diethoxy-6,7-dimethyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate is sourced from PubChem (CID 19886641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).