(2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate

C17H21NO4 — CID 19872900

IUPAC(2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate
SMILESCOc1cc(OC)c2ccccc2c1OC(=O)NC(C)(C)C
InChIInChI=1S/C17H21NO4/c1-17(2,3)18-16(19)22-15-12-9-7-6-8-11(12)13(20-4)10-14(15)21-5/h6-10H,1-5H3,(H,18,19)
InChIKeyWGYJLMWQAQOURK-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.74
Rot. Bonds3

About (2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate

(2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate (PubChem CID 19872900) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate
PubChem CID19872900
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name(2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate
SMILESCOc1cc(OC)c2ccccc2c1OC(=O)NC(C)(C)C
InChIInChI=1S/C17H21NO4/c1-17(2,3)18-16(19)22-15-12-9-7-6-8-11(12)13(20-4)10-14(15)21-5/h6-10H,1-5H3,(H,18,19)
InChIKeyWGYJLMWQAQOURK-UHFFFAOYSA-N
XLogP3.74
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate
CID 19873104
(2-ethoxy-4-methoxynaphthalen-1-yl) N-methylcarbamate
CID 19872862
(3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate
CID 22367386
(7-methoxynaphthalen-2-yl) N-tert-butylcarbamate
CID 174705376
(3-aminonaphthalen-2-yl) N-tert-butylcarbamate
CID 174570423
(3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate
CID 19872769
(2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate
CID 110671038
2,4-dimethoxynaphthalen-1-ol
CID 12563547
(3-methoxy-4-nonanoyloxynaphthalen-1-yl) nonanoate
CID 153323087
(1-bromo-3-phenylmethoxynaphthalen-2-yl) N-tert-butylcarbamate
CID 174593936
1-tert-butyl-3-(2,6-dimethoxyphenyl)urea
CID 108867821
[2-(aminomethyl)phenyl] N-tert-butylcarbamate
CID 141322688

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate?
The IUPAC name of (2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate (CID 19872900) is (2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate.
What is the SMILES notation for (2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate?
The canonical SMILES for (2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate is COc1cc(OC)c2ccccc2c1OC(=O)NC(C)(C)C.
What is the InChIKey of (2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate?
The InChIKey is WGYJLMWQAQOURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-17(2,3)18-16(19)22-15-12-9-7-6-8-11(12)13(20-4)10-14(15)21-5/h6-10H,1-5H3,(H,18,19).
What are the key properties of (2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate?
(2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate has a molecular weight of 303.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate is sourced from PubChem (CID 19872900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).