N-[3-(3,4-dimethoxyphenyl)-8-methyl-4-oxochromen-2-yl]pentanamide

C23H25NO5 — CID 7693344

IUPACN-[3-(3,4-dimethoxyphenyl)-8-methyl-4-oxochromen-2-yl]pentanamide
SMILESCCCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H25NO5/c1-5-6-10-19(25)24-23-20(15-11-12-17(27-3)18(13-15)28-4)21(26)16-9-7-8-14(2)22(16)29-23/h7-9,11-13H,5-6,10H2,1-4H3,(H,24,25)
InChIKeyUXRDIRJSZNNWPL-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.91
Rot. Bonds7

About N-[3-(3,4-dimethoxyphenyl)-8-methyl-4-oxochromen-2-yl]pentanamide

N-[3-(3,4-dimethoxyphenyl)-8-methyl-4-oxochromen-2-yl]pentanamide (PubChem CID 7693344) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)-8-methyl-4-oxochromen-2-yl]pentanamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)-8-methyl-4-oxochromen-2-yl]pentanamide
PubChem CID7693344
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC NameN-[3-(3,4-dimethoxyphenyl)-8-methyl-4-oxochromen-2-yl]pentanamide
SMILESCCCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H25NO5/c1-5-6-10-19(25)24-23-20(15-11-12-17(27-3)18(13-15)28-4)21(26)16-9-7-8-14(2)22(16)29-23/h7-9,11-13H,5-6,10H2,1-4H3,(H,24,25)
InChIKeyUXRDIRJSZNNWPL-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(1,3-benzodioxol-5-yl)-4H-chromen-4-one
CID 7463379
3',4'-Dimethoxyisoflavone
CID 11587258
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxochromene-3-carboxamide
CID 2333990
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxochromene-3-carboxamide
CID 2333990
N-(4-Oxo-4H-1-benzopyran-2-yl)-2-phenylpropanamide
CID 3041756
Methyl 5-[1-(3,4-dimethoxy-5-methoxycarbonyl-phenyl)-7-(methylamino)-7-oxo-hept-1-enyl]-2,3-dimethoxy-benzoate
CID 488475
(Z)-2-[5-[(E)-3-amino-3-oxoprop-1-enyl]-2,3-dimethoxyphenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 76328616
(Z)-2-[5-[(E)-3-amino-3-oxoprop-1-enyl]-2,3-dimethoxyphenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 76328616
2-[2-(3,4-Dimethoxyphenyl)ethylamino]-5,7-dimethoxychromen-4-one
CID 127028060
(Z)-4-(1-Hydroxy-5,6-dimethoxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-3-methylbut-3-enamide
CID 155818789
Kinanthraquinone
CID 139589516
N-[3-(1,3-benzodioxol-5-yl)-8-methyl-4-oxochromen-2-yl]pentanamide
CID 7694075

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)-8-methyl-4-oxochromen-2-yl]pentanamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)-8-methyl-4-oxochromen-2-yl]pentanamide (CID 7693344) is N-[3-(3,4-dimethoxyphenyl)-8-methyl-4-oxochromen-2-yl]pentanamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)-8-methyl-4-oxochromen-2-yl]pentanamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)-8-methyl-4-oxochromen-2-yl]pentanamide is CCCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)-8-methyl-4-oxochromen-2-yl]pentanamide?
The InChIKey is UXRDIRJSZNNWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-5-6-10-19(25)24-23-20(15-11-12-17(27-3)18(13-15)28-4)21(26)16-9-7-8-14(2)22(16)29-23/h7-9,11-13H,5-6,10H2,1-4H3,(H,24,25).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)-8-methyl-4-oxochromen-2-yl]pentanamide?
N-[3-(3,4-dimethoxyphenyl)-8-methyl-4-oxochromen-2-yl]pentanamide has a molecular weight of 395.46 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)-8-methyl-4-oxochromen-2-yl]pentanamide is sourced from PubChem (CID 7693344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).