N-(4-methyl-2-oxochromen-7-yl)-2-phenylacetamide

C18H15NO3 — CID 688125

IUPACN-(4-methyl-2-oxochromen-7-yl)-2-phenylacetamide
SMILESCc1cc(=O)oc2cc(NC(=O)Cc3ccccc3)ccc12
InChIInChI=1S/C18H15NO3/c1-12-9-18(21)22-16-11-14(7-8-15(12)16)19-17(20)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyUQUMDDZAFRUNFQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.28
Rot. Bonds3

About N-(4-methyl-2-oxochromen-7-yl)-2-phenylacetamide

N-(4-methyl-2-oxochromen-7-yl)-2-phenylacetamide (PubChem CID 688125) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-2-phenylacetamide
PubChem CID688125
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-2-phenylacetamide
SMILESCc1cc(=O)oc2cc(NC(=O)Cc3ccccc3)ccc12
InChIInChI=1S/C18H15NO3/c1-12-9-18(21)22-16-11-14(7-8-15(12)16)19-17(20)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyUQUMDDZAFRUNFQ-UHFFFAOYSA-N
XLogP3.28
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-phenylacetamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-phenylacetamide (CID 688125) is N-(4-methyl-2-oxochromen-7-yl)-2-phenylacetamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-2-phenylacetamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-2-phenylacetamide is Cc1cc(=O)oc2cc(NC(=O)Cc3ccccc3)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-2-phenylacetamide?
The InChIKey is UQUMDDZAFRUNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-9-18(21)22-16-11-14(7-8-15(12)16)19-17(20)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-2-phenylacetamide?
N-(4-methyl-2-oxochromen-7-yl)-2-phenylacetamide has a molecular weight of 293.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-2-phenylacetamide is sourced from PubChem (CID 688125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).