2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylpropanamide

C16H19NO3 — CID 100752361

IUPAC2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)OC)c2ccccc12
InChIInChI=1S/C16H19NO3/c1-16(2,20-4)15(18)17-13-9-10-14(19-3)12-8-6-5-7-11(12)13/h5-10H,1-4H3,(H,17,18)
InChIKeyFSWKVXUHWUSSPJ-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.21
Rot. Bonds4

About 2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylpropanamide

2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylpropanamide (PubChem CID 100752361) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylpropanamide
PubChem CID100752361
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)OC)c2ccccc12
InChIInChI=1S/C16H19NO3/c1-16(2,20-4)15(18)17-13-9-10-14(19-3)12-8-6-5-7-11(12)13/h5-10H,1-4H3,(H,17,18)
InChIKeyFSWKVXUHWUSSPJ-UHFFFAOYSA-N
XLogP3.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylpropanamide?
The IUPAC name of 2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylpropanamide (CID 100752361) is 2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylpropanamide.
What is the SMILES notation for 2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylpropanamide?
The canonical SMILES for 2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylpropanamide is COc1ccc(NC(=O)C(C)(C)OC)c2ccccc12.
What is the InChIKey of 2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylpropanamide?
The InChIKey is FSWKVXUHWUSSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-16(2,20-4)15(18)17-13-9-10-14(19-3)12-8-6-5-7-11(12)13/h5-10H,1-4H3,(H,17,18).
What are the key properties of 2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylpropanamide?
2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylpropanamide has a molecular weight of 273.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylpropanamide is sourced from PubChem (CID 100752361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).