(2-naphthalen-1-yl-2-oxoethyl) 4-[(4-methoxybenzoyl)amino]benzoate

C27H21NO5 — CID 1218392

IUPAC(2-naphthalen-1-yl-2-oxoethyl) 4-[(4-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C27H21NO5/c1-32-22-15-11-19(12-16-22)26(30)28-21-13-9-20(10-14-21)27(31)33-17-25(29)24-8-4-6-18-5-2-3-7-23(18)24/h2-16H,17H2,1H3,(H,28,30)
InChIKeyFGBKARBRGRMMDB-UHFFFAOYSA-N
MW439.47 g/mol
LogP5.14
Rot. Bonds7

About (2-naphthalen-1-yl-2-oxoethyl) 4-[(4-methoxybenzoyl)amino]benzoate

(2-naphthalen-1-yl-2-oxoethyl) 4-[(4-methoxybenzoyl)amino]benzoate (PubChem CID 1218392) has the molecular formula C27H21NO5 and a molecular weight of 439.47 g/mol. Its IUPAC name is (2-naphthalen-1-yl-2-oxoethyl) 4-[(4-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Name(2-naphthalen-1-yl-2-oxoethyl) 4-[(4-methoxybenzoyl)amino]benzoate
PubChem CID1218392
Molecular FormulaC27H21NO5
Molecular Weight439.47 g/mol
Exact Mass439.14
IUPAC Name(2-naphthalen-1-yl-2-oxoethyl) 4-[(4-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C27H21NO5/c1-32-22-15-11-19(12-16-22)26(30)28-21-13-9-20(10-14-21)27(31)33-17-25(29)24-8-4-6-18-5-2-3-7-23(18)24/h2-16H,17H2,1H3,(H,28,30)
InChIKeyFGBKARBRGRMMDB-UHFFFAOYSA-N
XLogP5.14
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-1-yl-2-oxoethyl) 4-[(4-methoxybenzoyl)amino]benzoate?
The IUPAC name of (2-naphthalen-1-yl-2-oxoethyl) 4-[(4-methoxybenzoyl)amino]benzoate (CID 1218392) is (2-naphthalen-1-yl-2-oxoethyl) 4-[(4-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for (2-naphthalen-1-yl-2-oxoethyl) 4-[(4-methoxybenzoyl)amino]benzoate?
The canonical SMILES for (2-naphthalen-1-yl-2-oxoethyl) 4-[(4-methoxybenzoyl)amino]benzoate is COc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of (2-naphthalen-1-yl-2-oxoethyl) 4-[(4-methoxybenzoyl)amino]benzoate?
The InChIKey is FGBKARBRGRMMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO5/c1-32-22-15-11-19(12-16-22)26(30)28-21-13-9-20(10-14-21)27(31)33-17-25(29)24-8-4-6-18-5-2-3-7-23(18)24/h2-16H,17H2,1H3,(H,28,30).
What are the key properties of (2-naphthalen-1-yl-2-oxoethyl) 4-[(4-methoxybenzoyl)amino]benzoate?
(2-naphthalen-1-yl-2-oxoethyl) 4-[(4-methoxybenzoyl)amino]benzoate has a molecular weight of 439.47 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-1-yl-2-oxoethyl) 4-[(4-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 1218392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).