[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate

C19H20N2O4 — CID 9200439

IUPAC[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
SMILESCOc1cc2ccccc2cc1C(=O)OCC(=O)N(C)C(C)(C)C#N
InChIInChI=1S/C19H20N2O4/c1-19(2,12-20)21(3)17(22)11-25-18(23)15-9-13-7-5-6-8-14(13)10-16(15)24-4/h5-10H,11H2,1-4H3
InChIKeyVCKSTOGFXPZGHP-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.77
Rot. Bonds5

About [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate

[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate (PubChem CID 9200439) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
PubChem CID9200439
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
SMILESCOc1cc2ccccc2cc1C(=O)OCC(=O)N(C)C(C)(C)C#N
InChIInChI=1S/C19H20N2O4/c1-19(2,12-20)21(3)17(22)11-25-18(23)15-9-13-7-5-6-8-14(13)10-16(15)24-4/h5-10H,11H2,1-4H3
InChIKeyVCKSTOGFXPZGHP-UHFFFAOYSA-N
XLogP2.77
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-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-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 8017896
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2651216
[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376931
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7604312
(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7679231
CID 101146176
CID 101146176
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 8020366
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2587537
[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 8575022
(2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 7766882
[2-(4-iodoanilino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2353398

Frequently Asked Questions

What is the IUPAC name of [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
The IUPAC name of [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate (CID 9200439) is [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
The canonical SMILES for [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate is COc1cc2ccccc2cc1C(=O)OCC(=O)N(C)C(C)(C)C#N.
What is the InChIKey of [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
The InChIKey is VCKSTOGFXPZGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-19(2,12-20)21(3)17(22)11-25-18(23)15-9-13-7-5-6-8-14(13)10-16(15)24-4/h5-10H,11H2,1-4H3.
What are the key properties of [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 9200439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).