2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide

C23H22N2O4 — CID 142804897

IUPAC2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C23H22N2O4/c1-15-7-4-5-8-18(15)25-22(26)16-11-13-17(14-12-16)24-23(27)21-19(28-2)9-6-10-20(21)29-3/h4-14H,1-3H3,(H,24,27)(H,25,26)
InChIKeyWVTAXQZLGDAVKS-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.52
Rot. Bonds6

About 2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide

2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide (PubChem CID 142804897) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
PubChem CID142804897
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C23H22N2O4/c1-15-7-4-5-8-18(15)25-22(26)16-11-13-17(14-12-16)24-23(27)21-19(28-2)9-6-10-20(21)29-3/h4-14H,1-3H3,(H,24,27)(H,25,26)
InChIKeyWVTAXQZLGDAVKS-UHFFFAOYSA-N
XLogP4.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985879
2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide
CID 154838760
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
2-amino-6-methoxy-N-(2-methylphenyl)benzamide
CID 81410704
3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23857052
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522627
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212
3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985880
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethylbenzamide
CID 9245041

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide (CID 142804897) is 2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide is COc1cccc(OC)c1C(=O)Nc1ccc(C(=O)Nc2ccccc2C)cc1.
What is the InChIKey of 2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide?
The InChIKey is WVTAXQZLGDAVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-7-4-5-8-18(15)25-22(26)16-11-13-17(14-12-16)24-23(27)21-19(28-2)9-6-10-20(21)29-3/h4-14H,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide?
2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide has a molecular weight of 390.44 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 142804897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).