4-[2-(diethylamino)ethoxy]-6-methoxy-1-methylnaphthalene-2-carboxylic acid

C19H25NO4 — CID 54265250

IUPAC4-[2-(diethylamino)ethoxy]-6-methoxy-1-methylnaphthalene-2-carboxylic acid
SMILESCCN(CC)CCOc1cc(C(=O)O)c(C)c2ccc(OC)cc12
InChIInChI=1S/C19H25NO4/c1-5-20(6-2)9-10-24-18-12-16(19(21)22)13(3)15-8-7-14(23-4)11-17(15)18/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,21,22)
InChIKeyRGHLFFNITLHUFP-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.58
Rot. Bonds8

About 4-[2-(diethylamino)ethoxy]-6-methoxy-1-methylnaphthalene-2-carboxylic acid

4-[2-(diethylamino)ethoxy]-6-methoxy-1-methylnaphthalene-2-carboxylic acid (PubChem CID 54265250) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethoxy]-6-methoxy-1-methylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(diethylamino)ethoxy]-6-methoxy-1-methylnaphthalene-2-carboxylic acid
PubChem CID54265250
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name4-[2-(diethylamino)ethoxy]-6-methoxy-1-methylnaphthalene-2-carboxylic acid
SMILESCCN(CC)CCOc1cc(C(=O)O)c(C)c2ccc(OC)cc12
InChIInChI=1S/C19H25NO4/c1-5-20(6-2)9-10-24-18-12-16(19(21)22)13(3)15-8-7-14(23-4)11-17(15)18/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,21,22)
InChIKeyRGHLFFNITLHUFP-UHFFFAOYSA-N
XLogP3.58
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]ethanone
CID 82002145
4-amino-2-[2-(diethylamino)ethoxy]benzoic acid
CID 56992725
[2-[2-(diethylamino)ethoxy]-5-methoxyphenyl]methanol
CID 43267964
4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid
CID 69431703
2-butoxy-5-methoxybenzoic acid
CID 43213162
2-[2-(aminomethyl)-4-methoxyphenoxy]-N,N-diethylethanamine
CID 43268159
2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20988996
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-5-methoxy-2-methyl-1H-indole-3-carboxamide
CID 167866171
2-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-1-(4-methoxyphenyl)ethanone
CID 19895394
1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-N-ethylethanamine
CID 82000221
2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid
CID 4258728
5-acetyloxy-2-[3-(diethylamino)propoxy]benzoic acid;hydrochloride
CID 24838329

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethoxy]-6-methoxy-1-methylnaphthalene-2-carboxylic acid?
The IUPAC name of 4-[2-(diethylamino)ethoxy]-6-methoxy-1-methylnaphthalene-2-carboxylic acid (CID 54265250) is 4-[2-(diethylamino)ethoxy]-6-methoxy-1-methylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-[2-(diethylamino)ethoxy]-6-methoxy-1-methylnaphthalene-2-carboxylic acid?
The canonical SMILES for 4-[2-(diethylamino)ethoxy]-6-methoxy-1-methylnaphthalene-2-carboxylic acid is CCN(CC)CCOc1cc(C(=O)O)c(C)c2ccc(OC)cc12.
What is the InChIKey of 4-[2-(diethylamino)ethoxy]-6-methoxy-1-methylnaphthalene-2-carboxylic acid?
The InChIKey is RGHLFFNITLHUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-5-20(6-2)9-10-24-18-12-16(19(21)22)13(3)15-8-7-14(23-4)11-17(15)18/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,21,22).
What are the key properties of 4-[2-(diethylamino)ethoxy]-6-methoxy-1-methylnaphthalene-2-carboxylic acid?
4-[2-(diethylamino)ethoxy]-6-methoxy-1-methylnaphthalene-2-carboxylic acid has a molecular weight of 331.41 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethoxy]-6-methoxy-1-methylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 54265250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).