2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetamide

C19H17NO4 — CID 744830

IUPAC2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1c(Cc2ccccc2)c(=O)oc2cc(OCC(N)=O)ccc12
InChIInChI=1S/C19H17NO4/c1-12-15-8-7-14(23-11-18(20)21)10-17(15)24-19(22)16(12)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H2,20,21)
InChIKeyWULMDNDSTYDGFO-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.56
Rot. Bonds5

About 2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetamide

2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 744830) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound Name2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID744830
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1c(Cc2ccccc2)c(=O)oc2cc(OCC(N)=O)ccc12
InChIInChI=1S/C19H17NO4/c1-12-15-8-7-14(23-11-18(20)21)10-17(15)24-19(22)16(12)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H2,20,21)
InChIKeyWULMDNDSTYDGFO-UHFFFAOYSA-N
XLogP2.56
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.56
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-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of 2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 744830) is 2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for 2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for 2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(N)=O)ccc12.
What is the InChIKey of 2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is WULMDNDSTYDGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12-15-8-7-14(23-11-18(20)21)10-17(15)24-19(22)16(12)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H2,20,21).
What are the key properties of 2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetamide?
2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 323.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 744830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).