8-methoxy-N-(4-methoxyphenyl)-2H-chromene-3-carboxamide

C18H17NO4 — CID 2725930

IUPAC8-methoxy-N-(4-methoxyphenyl)-2H-chromene-3-carboxamide
SMILESCOc1ccc(NC(=O)C2=Cc3cccc(OC)c3OC2)cc1
InChIInChI=1S/C18H17NO4/c1-21-15-8-6-14(7-9-15)19-18(20)13-10-12-4-3-5-16(22-2)17(12)23-11-13/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyDAQUNDCGLQWHHN-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.12
Rot. Bonds4

About 8-methoxy-N-(4-methoxyphenyl)-2H-chromene-3-carboxamide

8-methoxy-N-(4-methoxyphenyl)-2H-chromene-3-carboxamide (PubChem CID 2725930) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 8-methoxy-N-(4-methoxyphenyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(4-methoxyphenyl)-2H-chromene-3-carboxamide
PubChem CID2725930
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name8-methoxy-N-(4-methoxyphenyl)-2H-chromene-3-carboxamide
SMILESCOc1ccc(NC(=O)C2=Cc3cccc(OC)c3OC2)cc1
InChIInChI=1S/C18H17NO4/c1-21-15-8-6-14(7-9-15)19-18(20)13-10-12-4-3-5-16(22-2)17(12)23-11-13/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyDAQUNDCGLQWHHN-UHFFFAOYSA-N
XLogP3.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 648601
Amg-9810
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CID 599290
N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 745287
N-(3-Methylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 599289
2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 341782
Eterilate
CID 44258
N-(4-ethoxyphenyl)-2-methoxybenzamide
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3-Carboxamido coumarin, 30
CID 797192
3-Carboxamido coumarin, 22
CID 4914973
2-azanylidene-N-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide
CID 150819982

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(4-methoxyphenyl)-2H-chromene-3-carboxamide?
The IUPAC name of 8-methoxy-N-(4-methoxyphenyl)-2H-chromene-3-carboxamide (CID 2725930) is 8-methoxy-N-(4-methoxyphenyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-(4-methoxyphenyl)-2H-chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-N-(4-methoxyphenyl)-2H-chromene-3-carboxamide is COc1ccc(NC(=O)C2=Cc3cccc(OC)c3OC2)cc1.
What is the InChIKey of 8-methoxy-N-(4-methoxyphenyl)-2H-chromene-3-carboxamide?
The InChIKey is DAQUNDCGLQWHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-21-15-8-6-14(7-9-15)19-18(20)13-10-12-4-3-5-16(22-2)17(12)23-11-13/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of 8-methoxy-N-(4-methoxyphenyl)-2H-chromene-3-carboxamide?
8-methoxy-N-(4-methoxyphenyl)-2H-chromene-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(4-methoxyphenyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 2725930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).