methyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate

C14H17NO5 — CID 19352269

IUPACmethyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate
SMILESCOC(=O)NC1CCc2c(ccc(OC)c2OC)C1=O
InChIInChI=1S/C14H17NO5/c1-18-11-7-5-8-9(13(11)19-2)4-6-10(12(8)16)15-14(17)20-3/h5,7,10H,4,6H2,1-3H3,(H,15,17)
InChIKeyNWABBOAPGNNYAP-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.56
Rot. Bonds3

About methyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate

methyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate (PubChem CID 19352269) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is methyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate
PubChem CID19352269
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Namemethyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate
SMILESCOC(=O)NC1CCc2c(ccc(OC)c2OC)C1=O
InChIInChI=1S/C14H17NO5/c1-18-11-7-5-8-9(13(11)19-2)4-6-10(12(8)16)15-14(17)20-3/h5,7,10H,4,6H2,1-3H3,(H,15,17)
InChIKeyNWABBOAPGNNYAP-UHFFFAOYSA-N
XLogP1.56
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate?
The IUPAC name of methyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate (CID 19352269) is methyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate.
What is the SMILES notation for methyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate?
The canonical SMILES for methyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate is COC(=O)NC1CCc2c(ccc(OC)c2OC)C1=O.
What is the InChIKey of methyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate?
The InChIKey is NWABBOAPGNNYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-18-11-7-5-8-9(13(11)19-2)4-6-10(12(8)16)15-14(17)20-3/h5,7,10H,4,6H2,1-3H3,(H,15,17).
What are the key properties of methyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate?
methyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate has a molecular weight of 279.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate is sourced from PubChem (CID 19352269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).