methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate

C21H21NO3 — CID 178089831

IUPACmethyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(OCCN(C)c3ccccc3)ccc2c1
InChIInChI=1S/C21H21NO3/c1-22(19-6-4-3-5-7-19)12-13-25-20-11-10-16-14-18(21(23)24-2)9-8-17(16)15-20/h3-11,14-15H,12-13H2,1-2H3
InChIKeyRPHJXXSFTJFGJM-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.14
Rot. Bonds6

About methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate

methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate (PubChem CID 178089831) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate
PubChem CID178089831
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Namemethyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(OCCN(C)c3ccccc3)ccc2c1
InChIInChI=1S/C21H21NO3/c1-22(19-6-4-3-5-7-19)12-13-25-20-11-10-16-14-18(21(23)24-2)9-8-17(16)15-20/h3-11,14-15H,12-13H2,1-2H3
InChIKeyRPHJXXSFTJFGJM-UHFFFAOYSA-N
XLogP4.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-methylanilino)ethyl naphthalene-2-carboxylate
CID 70658913
4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid
CID 71207284
ethane;methyl naphthalene-2-carboxylate
CID 143895262
4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid
CID 107736710
N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline
CID 54260690
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
(4-methoxycarbonylphenyl) 6-heptoxynaphthalene-2-carboxylate
CID 90137749
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate
CID 143968517
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
methyl 6-(2,3-dihydroxypropoxy)naphthalene-2-carboxylate
CID 67087010
3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
CID 82224138

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate?
The IUPAC name of methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate (CID 178089831) is methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate?
The canonical SMILES for methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate is COC(=O)c1ccc2cc(OCCN(C)c3ccccc3)ccc2c1.
What is the InChIKey of methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate?
The InChIKey is RPHJXXSFTJFGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-22(19-6-4-3-5-7-19)12-13-25-20-11-10-16-14-18(21(23)24-2)9-8-17(16)15-20/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate?
methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate is sourced from PubChem (CID 178089831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).