ethyl 2-[(3-methoxynaphthalen-1-yl)amino]benzoate

C20H19NO3 — CID 155555347

IUPACethyl 2-[(3-methoxynaphthalen-1-yl)amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1cc(OC)cc2ccccc12
InChIInChI=1S/C20H19NO3/c1-3-24-20(22)17-10-6-7-11-18(17)21-19-13-15(23-2)12-14-8-4-5-9-16(14)19/h4-13,21H,3H2,1-2H3
InChIKeyCLQWRRITHKZOPW-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.77
Rot. Bonds5

About ethyl 2-[(3-methoxynaphthalen-1-yl)amino]benzoate

ethyl 2-[(3-methoxynaphthalen-1-yl)amino]benzoate (PubChem CID 155555347) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 2-[(3-methoxynaphthalen-1-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(3-methoxynaphthalen-1-yl)amino]benzoate
PubChem CID155555347
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Nameethyl 2-[(3-methoxynaphthalen-1-yl)amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1cc(OC)cc2ccccc12
InChIInChI=1S/C20H19NO3/c1-3-24-20(22)17-10-6-7-11-18(17)21-19-13-15(23-2)12-14-8-4-5-9-16(14)19/h4-13,21H,3H2,1-2H3
InChIKeyCLQWRRITHKZOPW-UHFFFAOYSA-N
XLogP4.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methoxynaphthalen-1-yl)amino]benzoate?
The IUPAC name of ethyl 2-[(3-methoxynaphthalen-1-yl)amino]benzoate (CID 155555347) is ethyl 2-[(3-methoxynaphthalen-1-yl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(3-methoxynaphthalen-1-yl)amino]benzoate?
The canonical SMILES for ethyl 2-[(3-methoxynaphthalen-1-yl)amino]benzoate is CCOC(=O)c1ccccc1Nc1cc(OC)cc2ccccc12.
What is the InChIKey of ethyl 2-[(3-methoxynaphthalen-1-yl)amino]benzoate?
The InChIKey is CLQWRRITHKZOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-24-20(22)17-10-6-7-11-18(17)21-19-13-15(23-2)12-14-8-4-5-9-16(14)19/h4-13,21H,3H2,1-2H3.
What are the key properties of ethyl 2-[(3-methoxynaphthalen-1-yl)amino]benzoate?
ethyl 2-[(3-methoxynaphthalen-1-yl)amino]benzoate has a molecular weight of 321.38 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methoxynaphthalen-1-yl)amino]benzoate is sourced from PubChem (CID 155555347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).