N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzamide

C22H21NO4 — CID 1327711

IUPACN-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(-c2cccc(C(=O)Nc3ccc(OC)c(OC)c3)c2)cc1
InChIInChI=1S/C22H21NO4/c1-25-19-10-7-15(8-11-19)16-5-4-6-17(13-16)22(24)23-18-9-12-20(26-2)21(14-18)27-3/h4-14H,1-3H3,(H,23,24)
InChIKeyJGZTUYOMPVPVRV-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.63
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzamide

N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzamide (PubChem CID 1327711) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzamide
PubChem CID1327711
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(-c2cccc(C(=O)Nc3ccc(OC)c(OC)c3)c2)cc1
InChIInChI=1S/C22H21NO4/c1-25-19-10-7-15(8-11-19)16-5-4-6-17(13-16)22(24)23-18-9-12-20(26-2)21(14-18)27-3/h4-14H,1-3H3,(H,23,24)
InChIKeyJGZTUYOMPVPVRV-UHFFFAOYSA-N
XLogP4.63
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzamide (CID 1327711) is N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzamide is COc1ccc(-c2cccc(C(=O)Nc3ccc(OC)c(OC)c3)c2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzamide?
The InChIKey is JGZTUYOMPVPVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-25-19-10-7-15(8-11-19)16-5-4-6-17(13-16)22(24)23-18-9-12-20(26-2)21(14-18)27-3/h4-14H,1-3H3,(H,23,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzamide?
N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzamide has a molecular weight of 363.41 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 1327711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).