2-(2,4-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide

C19H17NO4 — CID 965734

IUPAC2-(2,4-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3oc(=O)ccc3c2)c(C)c1
InChIInChI=1S/C19H17NO4/c1-12-3-6-16(13(2)9-12)23-11-18(21)20-15-5-7-17-14(10-15)4-8-19(22)24-17/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyMZBPBUFMWBWUQQ-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.43
Rot. Bonds4

About 2-(2,4-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide

2-(2,4-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide (PubChem CID 965734) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide
PubChem CID965734
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name2-(2,4-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3oc(=O)ccc3c2)c(C)c1
InChIInChI=1S/C19H17NO4/c1-12-3-6-16(13(2)9-12)23-11-18(21)20-15-5-7-17-14(10-15)4-8-19(22)24-17/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyMZBPBUFMWBWUQQ-UHFFFAOYSA-N
XLogP3.43
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide (CID 965734) is 2-(2,4-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide is Cc1ccc(OCC(=O)Nc2ccc3oc(=O)ccc3c2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide?
The InChIKey is MZBPBUFMWBWUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12-3-6-16(13(2)9-12)23-11-18(21)20-15-5-7-17-14(10-15)4-8-19(22)24-17/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide?
2-(2,4-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide is sourced from PubChem (CID 965734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).