[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] naphthalene-1-carboxylate

C21H19NO4 — CID 2338050

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] naphthalene-1-carboxylate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1cccc2ccccc12
InChIInChI=1S/C21H19NO4/c1-25-19-12-5-3-8-16(19)13-22-20(23)14-26-21(24)18-11-6-9-15-7-2-4-10-17(15)18/h2-12H,13-14H2,1H3,(H,22,23)
InChIKeyMGPZSXULPILEJV-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.32
Rot. Bonds6

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] naphthalene-1-carboxylate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] naphthalene-1-carboxylate (PubChem CID 2338050) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] naphthalene-1-carboxylate
PubChem CID2338050
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] naphthalene-1-carboxylate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1cccc2ccccc12
InChIInChI=1S/C21H19NO4/c1-25-19-12-5-3-8-16(19)13-22-20(23)14-26-21(24)18-11-6-9-15-7-2-4-10-17(15)18/h2-12H,13-14H2,1H3,(H,22,23)
InChIKeyMGPZSXULPILEJV-UHFFFAOYSA-N
XLogP3.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071639
3-[4-(2-Acetylaminoethyl)-6-methoxynaphth-2-yl]benzoic acid methyl ester
CID 44579260
3-[2-({[(1R)-1-(1-Naphthyl)ethyl]amino}carbonyl)-4-(phenoxymethyl)phenyl]propanoic acid
CID 46201043
(S)-3-(4-Hydroxy-phenyl)-2-[(naphthalene-1-carbonyl)-amino]-propionic acid ethyl ester
CID 9885355
3-[(2R)-2-borono-2-[(2-ethoxynaphthalene-1-carbonyl)amino]ethyl]benzoic acid
CID 71562533
(2s)-2-(4-Methoxy-3-{[(Pyren-1-Ylcarbonyl)amino]methyl}benzyl)butanoic Acid
CID 25112371
Ono-AP-324
CID 9867828
N-{2-[4-(hydroxycarbamoyl)phenoxy]ethyl}naphthalene-2-carboxamide
CID 11473559
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-oxochromen-6-yl)oxyethyl]propanamide
CID 137643949
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2365487
N-cyclohexyl-3-methoxynaphthalene-2-carboxamide
CID 2571368
[2-Oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate
CID 4086904

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] naphthalene-1-carboxylate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] naphthalene-1-carboxylate (CID 2338050) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] naphthalene-1-carboxylate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] naphthalene-1-carboxylate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] naphthalene-1-carboxylate is COc1ccccc1CNC(=O)COC(=O)c1cccc2ccccc12.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] naphthalene-1-carboxylate?
The InChIKey is MGPZSXULPILEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-25-19-12-5-3-8-16(19)13-22-20(23)14-26-21(24)18-11-6-9-15-7-2-4-10-17(15)18/h2-12H,13-14H2,1H3,(H,22,23).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] naphthalene-1-carboxylate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] naphthalene-1-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] naphthalene-1-carboxylate is sourced from PubChem (CID 2338050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).