3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide

C23H25NO5 — CID 4914188

IUPAC3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O
InChIInChI=1S/C23H25NO5/c1-14-17-9-11-19(27-3)15(2)22(17)29-23(26)18(14)10-12-21(25)24-13-16-7-5-6-8-20(16)28-4/h5-9,11H,10,12-13H2,1-4H3,(H,24,25)
InChIKeyOGIDTSZBIJOSEE-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.68
Rot. Bonds7

About 3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide

3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 4914188) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID4914188
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O
InChIInChI=1S/C23H25NO5/c1-14-17-9-11-19(27-3)15(2)22(17)29-23(26)18(14)10-12-21(25)24-13-16-7-5-6-8-20(16)28-4/h5-9,11H,10,12-13H2,1-4H3,(H,24,25)
InChIKeyOGIDTSZBIJOSEE-UHFFFAOYSA-N
XLogP3.68
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide (CID 4914188) is 3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O.
What is the InChIKey of 3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is OGIDTSZBIJOSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-14-17-9-11-19(27-3)15(2)22(17)29-23(26)18(14)10-12-21(25)24-13-16-7-5-6-8-20(16)28-4/h5-9,11H,10,12-13H2,1-4H3,(H,24,25).
What are the key properties of 3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 395.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 4914188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).