2-(5-acetamidonaphthalen-2-yl)-4-methoxybenzoic acid

C20H17NO4 — CID 154189489

IUPAC2-(5-acetamidonaphthalen-2-yl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(-c2ccc3c(NC(C)=O)cccc3c2)c1
InChIInChI=1S/C20H17NO4/c1-12(22)21-19-5-3-4-13-10-14(6-8-16(13)19)18-11-15(25-2)7-9-17(18)20(23)24/h3-11H,1-2H3,(H,21,22)(H,23,24)
InChIKeyBILVLCWOQCFECU-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.17
Rot. Bonds4

About 2-(5-acetamidonaphthalen-2-yl)-4-methoxybenzoic acid

2-(5-acetamidonaphthalen-2-yl)-4-methoxybenzoic acid (PubChem CID 154189489) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-(5-acetamidonaphthalen-2-yl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-(5-acetamidonaphthalen-2-yl)-4-methoxybenzoic acid
PubChem CID154189489
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name2-(5-acetamidonaphthalen-2-yl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(-c2ccc3c(NC(C)=O)cccc3c2)c1
InChIInChI=1S/C20H17NO4/c1-12(22)21-19-5-3-4-13-10-14(6-8-16(13)19)18-11-15(25-2)7-9-17(18)20(23)24/h3-11H,1-2H3,(H,21,22)(H,23,24)
InChIKeyBILVLCWOQCFECU-UHFFFAOYSA-N
XLogP4.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamidonaphthalen-2-yl)-4-methoxybenzoic acid?
The IUPAC name of 2-(5-acetamidonaphthalen-2-yl)-4-methoxybenzoic acid (CID 154189489) is 2-(5-acetamidonaphthalen-2-yl)-4-methoxybenzoic acid.
What is the SMILES notation for 2-(5-acetamidonaphthalen-2-yl)-4-methoxybenzoic acid?
The canonical SMILES for 2-(5-acetamidonaphthalen-2-yl)-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(-c2ccc3c(NC(C)=O)cccc3c2)c1.
What is the InChIKey of 2-(5-acetamidonaphthalen-2-yl)-4-methoxybenzoic acid?
The InChIKey is BILVLCWOQCFECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-12(22)21-19-5-3-4-13-10-14(6-8-16(13)19)18-11-15(25-2)7-9-17(18)20(23)24/h3-11H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-(5-acetamidonaphthalen-2-yl)-4-methoxybenzoic acid?
2-(5-acetamidonaphthalen-2-yl)-4-methoxybenzoic acid has a molecular weight of 335.36 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamidonaphthalen-2-yl)-4-methoxybenzoic acid is sourced from PubChem (CID 154189489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).