[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate

C22H21NO5 — CID 2587537

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
SMILESCOc1ccc(CNC(=O)COC(=O)c2cc3ccccc3cc2OC)cc1
InChIInChI=1S/C22H21NO5/c1-26-18-9-7-15(8-10-18)13-23-21(24)14-28-22(25)19-11-16-5-3-4-6-17(16)12-20(19)27-2/h3-12H,13-14H2,1-2H3,(H,23,24)
InChIKeyAOWHIAFVZCEACD-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.33
Rot. Bonds7

About [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate (PubChem CID 2587537) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
PubChem CID2587537
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
SMILESCOc1ccc(CNC(=O)COC(=O)c2cc3ccccc3cc2OC)cc1
InChIInChI=1S/C22H21NO5/c1-26-18-9-7-15(8-10-18)13-23-21(24)14-28-22(25)19-11-16-5-3-4-6-17(16)12-20(19)27-2/h3-12H,13-14H2,1-2H3,(H,23,24)
InChIKeyAOWHIAFVZCEACD-UHFFFAOYSA-N
XLogP3.33
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586819
(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220
[2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 8663640
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate
CID 2689452
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate
CID 2587645
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566071
[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl] 2,4-dimethoxybenzoate
CID 50929549
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376931
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2641341
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate
CID 2646135
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11916267

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate (CID 2587537) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate is COc1ccc(CNC(=O)COC(=O)c2cc3ccccc3cc2OC)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
The InChIKey is AOWHIAFVZCEACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-26-18-9-7-15(8-10-18)13-23-21(24)14-28-22(25)19-11-16-5-3-4-6-17(16)12-20(19)27-2/h3-12H,13-14H2,1-2H3,(H,23,24).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate has a molecular weight of 379.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 2587537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).