6-methyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide

C19H17NO3 — CID 24860437

IUPAC6-methyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
SMILESCc1ccc2oc(=O)c(C(=O)NCCc3ccccc3)cc2c1
InChIInChI=1S/C19H17NO3/c1-13-7-8-17-15(11-13)12-16(19(22)23-17)18(21)20-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,20,21)
InChIKeyAOIFLQZKMIKPNH-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.07
Rot. Bonds4

About 6-methyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide

6-methyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide (PubChem CID 24860437) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
PubChem CID24860437
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name6-methyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
SMILESCc1ccc2oc(=O)c(C(=O)NCCc3ccccc3)cc2c1
InChIInChI=1S/C19H17NO3/c1-13-7-8-17-15(11-13)12-16(19(22)23-17)18(21)20-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,20,21)
InChIKeyAOIFLQZKMIKPNH-UHFFFAOYSA-N
XLogP3.07
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.07
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 6-methyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
The IUPAC name of 6-methyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide (CID 24860437) is 6-methyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide is Cc1ccc2oc(=O)c(C(=O)NCCc3ccccc3)cc2c1.
What is the InChIKey of 6-methyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
The InChIKey is AOIFLQZKMIKPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-13-7-8-17-15(11-13)12-16(19(22)23-17)18(21)20-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,20,21).
What are the key properties of 6-methyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
6-methyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide is sourced from PubChem (CID 24860437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).