N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide

C26H23NO5 — CID 108799946

IUPACN-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)cc(C)c4o3)cc2)c(OC)c1
InChIInChI=1S/C26H23NO5/c1-15-11-16(2)25-20(12-15)22(28)14-23(32-25)17-5-7-18(8-6-17)26(29)27-21-10-9-19(30-3)13-24(21)31-4/h5-14H,1-4H3,(H,27,29)
InChIKeyFJSGXDMCUCTZMT-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.35
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide

N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide (PubChem CID 108799946) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
PubChem CID108799946
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC NameN-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)cc(C)c4o3)cc2)c(OC)c1
InChIInChI=1S/C26H23NO5/c1-15-11-16(2)25-20(12-15)22(28)14-23(32-25)17-5-7-18(8-6-17)26(29)27-21-10-9-19(30-3)13-24(21)31-4/h5-14H,1-4H3,(H,27,29)
InChIKeyFJSGXDMCUCTZMT-UHFFFAOYSA-N
XLogP5.35
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787133
N-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799914
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide
CID 108787032
N-(4-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108786947
N-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787059
N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787110
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799981
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 108800008
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 108799991
propan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108787096
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide (CID 108799946) is N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide is COc1ccc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)cc(C)c4o3)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The InChIKey is FJSGXDMCUCTZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-15-11-16(2)25-20(12-15)22(28)14-23(32-25)17-5-7-18(8-6-17)26(29)27-21-10-9-19(30-3)13-24(21)31-4/h5-14H,1-4H3,(H,27,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide has a molecular weight of 429.47 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108799946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).