8-methoxy-N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide

C19H19NO4 — CID 1478794

IUPAC8-methoxy-N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2=Cc3cccc(OC)c3OC2)c1
InChIInChI=1S/C19H19NO4/c1-22-16-7-3-5-13(9-16)11-20-19(21)15-10-14-6-4-8-17(23-2)18(14)24-12-15/h3-10H,11-12H2,1-2H3,(H,20,21)
InChIKeyRDXLBBPBOPINSN-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.80
Rot. Bonds5

About 8-methoxy-N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide

8-methoxy-N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide (PubChem CID 1478794) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 8-methoxy-N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide
PubChem CID1478794
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name8-methoxy-N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2=Cc3cccc(OC)c3OC2)c1
InChIInChI=1S/C19H19NO4/c1-22-16-7-3-5-13(9-16)11-20-19(21)15-10-14-6-4-8-17(23-2)18(14)24-12-15/h3-10H,11-12H2,1-2H3,(H,20,21)
InChIKeyRDXLBBPBOPINSN-UHFFFAOYSA-N
XLogP2.80
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide?
The IUPAC name of 8-methoxy-N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide (CID 1478794) is 8-methoxy-N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide is COc1cccc(CNC(=O)C2=Cc3cccc(OC)c3OC2)c1.
What is the InChIKey of 8-methoxy-N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide?
The InChIKey is RDXLBBPBOPINSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-22-16-7-3-5-13(9-16)11-20-19(21)15-10-14-6-4-8-17(23-2)18(14)24-12-15/h3-10H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 8-methoxy-N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide?
8-methoxy-N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide has a molecular weight of 325.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 1478794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).