2-(N-methylanilino)ethyl naphthalene-2-carboxylate

C20H19NO2 — CID 70658913

IUPAC2-(N-methylanilino)ethyl naphthalene-2-carboxylate
SMILESCN(CCOC(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C20H19NO2/c1-21(19-9-3-2-4-10-19)13-14-23-20(22)18-12-11-16-7-5-6-8-17(16)15-18/h2-12,15H,13-14H2,1H3
InChIKeyFUWWNWWBCWALFT-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.13
Rot. Bonds5

About 2-(N-methylanilino)ethyl naphthalene-2-carboxylate

2-(N-methylanilino)ethyl naphthalene-2-carboxylate (PubChem CID 70658913) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(N-methylanilino)ethyl naphthalene-2-carboxylate.

Molecular Properties

Compound Name2-(N-methylanilino)ethyl naphthalene-2-carboxylate
PubChem CID70658913
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name2-(N-methylanilino)ethyl naphthalene-2-carboxylate
SMILESCN(CCOC(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C20H19NO2/c1-21(19-9-3-2-4-10-19)13-14-23-20(22)18-12-11-16-7-5-6-8-17(16)15-18/h2-12,15H,13-14H2,1H3
InChIKeyFUWWNWWBCWALFT-UHFFFAOYSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate
CID 178089831
2-(N-methylanilino)ethyl 4-propanoylbenzoate
CID 59444962
2-[benzoyl(hydroxy)amino]ethyl naphthalene-2-carboxylate
CID 88683647
[2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507754
[formyl(methyl)amino]methyl naphthalene-2-carboxylate
CID 71741120
2-propoxyethyl anthracene-2-carboxylate
CID 86199695
2-(N-methylanilino)ethyl (4-phenylphenyl) carbonate
CID 54270905
2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate
CID 23531659
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377
[4-(naphthalene-2-carbonyloxymethyl)cyclohexyl]methyl naphthalene-2-carboxylate
CID 59172646
ethane;methyl naphthalene-2-carboxylate
CID 143895262
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018372

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)ethyl naphthalene-2-carboxylate?
The IUPAC name of 2-(N-methylanilino)ethyl naphthalene-2-carboxylate (CID 70658913) is 2-(N-methylanilino)ethyl naphthalene-2-carboxylate.
What is the SMILES notation for 2-(N-methylanilino)ethyl naphthalene-2-carboxylate?
The canonical SMILES for 2-(N-methylanilino)ethyl naphthalene-2-carboxylate is CN(CCOC(=O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 2-(N-methylanilino)ethyl naphthalene-2-carboxylate?
The InChIKey is FUWWNWWBCWALFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-21(19-9-3-2-4-10-19)13-14-23-20(22)18-12-11-16-7-5-6-8-17(16)15-18/h2-12,15H,13-14H2,1H3.
What are the key properties of 2-(N-methylanilino)ethyl naphthalene-2-carboxylate?
2-(N-methylanilino)ethyl naphthalene-2-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)ethyl naphthalene-2-carboxylate is sourced from PubChem (CID 70658913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).