(8-methoxy-3,4-dipropoxynaphthalen-1-yl) N-methylcarbamate

C19H25NO5 — CID 19872966

IUPAC(8-methoxy-3,4-dipropoxynaphthalen-1-yl) N-methylcarbamate
SMILESCCCOc1cc(OC(=O)NC)c2c(OC)cccc2c1OCCC
InChIInChI=1S/C19H25NO5/c1-5-10-23-16-12-15(25-19(21)20-3)17-13(18(16)24-11-6-2)8-7-9-14(17)22-4/h7-9,12H,5-6,10-11H2,1-4H3,(H,20,21)
InChIKeyWCEHKKAWBZPHCJ-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.14
Rot. Bonds8

About (8-methoxy-3,4-dipropoxynaphthalen-1-yl) N-methylcarbamate

(8-methoxy-3,4-dipropoxynaphthalen-1-yl) N-methylcarbamate (PubChem CID 19872966) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is (8-methoxy-3,4-dipropoxynaphthalen-1-yl) N-methylcarbamate.

Molecular Properties

Compound Name(8-methoxy-3,4-dipropoxynaphthalen-1-yl) N-methylcarbamate
PubChem CID19872966
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name(8-methoxy-3,4-dipropoxynaphthalen-1-yl) N-methylcarbamate
SMILESCCCOc1cc(OC(=O)NC)c2c(OC)cccc2c1OCCC
InChIInChI=1S/C19H25NO5/c1-5-10-23-16-12-15(25-19(21)20-3)17-13(18(16)24-11-6-2)8-7-9-14(17)22-4/h7-9,12H,5-6,10-11H2,1-4H3,(H,20,21)
InChIKeyWCEHKKAWBZPHCJ-UHFFFAOYSA-N
XLogP4.14
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethoxy-4-methoxynaphthalen-1-yl) N-methylcarbamate
CID 19872862
(3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate
CID 19872769
[3-(2-chloroethoxy)-2-methoxyphenyl] N-methylcarbamate
CID 54442292
(4-acetyloxy-3,8-dimethoxynaphthalen-1-yl) acetate
CID 19873029
naphthalen-1-yl N-methylcarbamate
CID 23447097
1,2,3,4,5-pentapropoxybenzene
CID 91365553
methyl 4-methoxy-8-propoxyquinoline-2-carboxylate
CID 102941864
calcium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173073118
magnesium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173327127
methyl 3,4,5-tripropoxybenzoate
CID 19820325
[4-(hexylcarbamoyloxy)-3-propoxynaphthalen-1-yl] N-hexylcarbamate
CID 19886828
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634

Frequently Asked Questions

What is the IUPAC name of (8-methoxy-3,4-dipropoxynaphthalen-1-yl) N-methylcarbamate?
The IUPAC name of (8-methoxy-3,4-dipropoxynaphthalen-1-yl) N-methylcarbamate (CID 19872966) is (8-methoxy-3,4-dipropoxynaphthalen-1-yl) N-methylcarbamate.
What is the SMILES notation for (8-methoxy-3,4-dipropoxynaphthalen-1-yl) N-methylcarbamate?
The canonical SMILES for (8-methoxy-3,4-dipropoxynaphthalen-1-yl) N-methylcarbamate is CCCOc1cc(OC(=O)NC)c2c(OC)cccc2c1OCCC.
What is the InChIKey of (8-methoxy-3,4-dipropoxynaphthalen-1-yl) N-methylcarbamate?
The InChIKey is WCEHKKAWBZPHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-5-10-23-16-12-15(25-19(21)20-3)17-13(18(16)24-11-6-2)8-7-9-14(17)22-4/h7-9,12H,5-6,10-11H2,1-4H3,(H,20,21).
What are the key properties of (8-methoxy-3,4-dipropoxynaphthalen-1-yl) N-methylcarbamate?
(8-methoxy-3,4-dipropoxynaphthalen-1-yl) N-methylcarbamate has a molecular weight of 347.41 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-3,4-dipropoxynaphthalen-1-yl) N-methylcarbamate is sourced from PubChem (CID 19872966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).