(3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate

C16H19NO4 — CID 22367386

IUPAC(3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate
SMILESCCCNC(=O)Oc1cc(OC)c(OC)c2ccccc12
InChIInChI=1S/C16H19NO4/c1-4-9-17-16(18)21-13-10-14(19-2)15(20-3)12-8-6-5-7-11(12)13/h5-8,10H,4,9H2,1-3H3,(H,17,18)
InChIKeyONVTUBZLILQUOL-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.36
Rot. Bonds5

About (3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate

(3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate (PubChem CID 22367386) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is (3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate.

Molecular Properties

Compound Name(3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate
PubChem CID22367386
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate
SMILESCCCNC(=O)Oc1cc(OC)c(OC)c2ccccc12
InChIInChI=1S/C16H19NO4/c1-4-9-17-16(18)21-13-10-14(19-2)15(20-3)12-8-6-5-7-11(12)13/h5-8,10H,4,9H2,1-3H3,(H,17,18)
InChIKeyONVTUBZLILQUOL-UHFFFAOYSA-N
XLogP3.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate
CID 19886837
(2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate
CID 19873104
[4-(butylcarbamoyloxy)-3-phenoxynaphthalen-1-yl] N-butylcarbamate
CID 19886794
(3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate
CID 19872769
[4-(hexylcarbamoyloxy)-3-propoxynaphthalen-1-yl] N-hexylcarbamate
CID 19886828
(2-ethylphenyl) N-propylcarbamate
CID 127559161
(2-ethoxy-4-methoxynaphthalen-1-yl) N-methylcarbamate
CID 19872862
(3-methoxy-4-nonanoyloxynaphthalen-1-yl) nonanoate
CID 153323087
(2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate
CID 19872900
(4-hexoxy-3-methoxynaphthalen-1-yl) acetate
CID 19873098
1-(4-methoxy-2-methylnaphthalen-1-yl)butan-1-one
CID 154120780
(3,5-diphenylphenyl) N-propylcarbamate
CID 44572187

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate?
The IUPAC name of (3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate (CID 22367386) is (3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate.
What is the SMILES notation for (3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate?
The canonical SMILES for (3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate is CCCNC(=O)Oc1cc(OC)c(OC)c2ccccc12.
What is the InChIKey of (3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate?
The InChIKey is ONVTUBZLILQUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-4-9-17-16(18)21-13-10-14(19-2)15(20-3)12-8-6-5-7-11(12)13/h5-8,10H,4,9H2,1-3H3,(H,17,18).
What are the key properties of (3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate?
(3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate has a molecular weight of 289.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate is sourced from PubChem (CID 22367386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).