2-(4-methoxyanilino)-N-(2-oxochromen-6-yl)acetamide

C18H16N2O4 — CID 155518495

IUPAC2-(4-methoxyanilino)-N-(2-oxochromen-6-yl)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc3oc(=O)ccc3c2)cc1
InChIInChI=1S/C18H16N2O4/c1-23-15-6-3-13(4-7-15)19-11-17(21)20-14-5-8-16-12(10-14)2-9-18(22)24-16/h2-10,19H,11H2,1H3,(H,20,21)
InChIKeySEDROBTYPDYXTC-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.85
Rot. Bonds5

About 2-(4-methoxyanilino)-N-(2-oxochromen-6-yl)acetamide

2-(4-methoxyanilino)-N-(2-oxochromen-6-yl)acetamide (PubChem CID 155518495) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-(2-oxochromen-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-(2-oxochromen-6-yl)acetamide
PubChem CID155518495
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-(4-methoxyanilino)-N-(2-oxochromen-6-yl)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc3oc(=O)ccc3c2)cc1
InChIInChI=1S/C18H16N2O4/c1-23-15-6-3-13(4-7-15)19-11-17(21)20-14-5-8-16-12(10-14)2-9-18(22)24-16/h2-10,19H,11H2,1H3,(H,20,21)
InChIKeySEDROBTYPDYXTC-UHFFFAOYSA-N
XLogP2.85
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-(2-oxochromen-6-yl)acetamide?
The IUPAC name of 2-(4-methoxyanilino)-N-(2-oxochromen-6-yl)acetamide (CID 155518495) is 2-(4-methoxyanilino)-N-(2-oxochromen-6-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-(2-oxochromen-6-yl)acetamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-(2-oxochromen-6-yl)acetamide is COc1ccc(NCC(=O)Nc2ccc3oc(=O)ccc3c2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-(2-oxochromen-6-yl)acetamide?
The InChIKey is SEDROBTYPDYXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-23-15-6-3-13(4-7-15)19-11-17(21)20-14-5-8-16-12(10-14)2-9-18(22)24-16/h2-10,19H,11H2,1H3,(H,20,21).
What are the key properties of 2-(4-methoxyanilino)-N-(2-oxochromen-6-yl)acetamide?
2-(4-methoxyanilino)-N-(2-oxochromen-6-yl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-(2-oxochromen-6-yl)acetamide is sourced from PubChem (CID 155518495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).