(3-butyl-2,4-dimethoxynaphthalen-1-yl) N-methylcarbamate

C18H23NO4 — CID 19873111

IUPAC(3-butyl-2,4-dimethoxynaphthalen-1-yl) N-methylcarbamate
SMILESCCCCc1c(OC)c(OC(=O)NC)c2ccccc2c1OC
InChIInChI=1S/C18H23NO4/c1-5-6-9-14-15(21-3)12-10-7-8-11-13(12)17(16(14)22-4)23-18(20)19-2/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,20)
InChIKeyFRCNWMOMADZVQG-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.92
Rot. Bonds6

About (3-butyl-2,4-dimethoxynaphthalen-1-yl) N-methylcarbamate

(3-butyl-2,4-dimethoxynaphthalen-1-yl) N-methylcarbamate (PubChem CID 19873111) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3-butyl-2,4-dimethoxynaphthalen-1-yl) N-methylcarbamate.

Molecular Properties

Compound Name(3-butyl-2,4-dimethoxynaphthalen-1-yl) N-methylcarbamate
PubChem CID19873111
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name(3-butyl-2,4-dimethoxynaphthalen-1-yl) N-methylcarbamate
SMILESCCCCc1c(OC)c(OC(=O)NC)c2ccccc2c1OC
InChIInChI=1S/C18H23NO4/c1-5-6-9-14-15(21-3)12-10-7-8-11-13(12)17(16(14)22-4)23-18(20)19-2/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,20)
InChIKeyFRCNWMOMADZVQG-UHFFFAOYSA-N
XLogP3.92
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-butyl-2,4-dimethoxynaphthalen-1-yl) N-methylcarbamate?
The IUPAC name of (3-butyl-2,4-dimethoxynaphthalen-1-yl) N-methylcarbamate (CID 19873111) is (3-butyl-2,4-dimethoxynaphthalen-1-yl) N-methylcarbamate.
What is the SMILES notation for (3-butyl-2,4-dimethoxynaphthalen-1-yl) N-methylcarbamate?
The canonical SMILES for (3-butyl-2,4-dimethoxynaphthalen-1-yl) N-methylcarbamate is CCCCc1c(OC)c(OC(=O)NC)c2ccccc2c1OC.
What is the InChIKey of (3-butyl-2,4-dimethoxynaphthalen-1-yl) N-methylcarbamate?
The InChIKey is FRCNWMOMADZVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-5-6-9-14-15(21-3)12-10-7-8-11-13(12)17(16(14)22-4)23-18(20)19-2/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,20).
What are the key properties of (3-butyl-2,4-dimethoxynaphthalen-1-yl) N-methylcarbamate?
(3-butyl-2,4-dimethoxynaphthalen-1-yl) N-methylcarbamate has a molecular weight of 317.39 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-2,4-dimethoxynaphthalen-1-yl) N-methylcarbamate is sourced from PubChem (CID 19873111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).