2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide

C23H22N2O4 — CID 154838760

IUPAC2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C
InChIInChI=1S/C23H22N2O4/c1-15-12-13-16(22(26)24-17-8-5-4-6-9-17)14-18(15)25-23(27)21-19(28-2)10-7-11-20(21)29-3/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChIKeyITOTYPXUYVWGGW-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.52
Rot. Bonds6

About 2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide

2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide (PubChem CID 154838760) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide
PubChem CID154838760
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C
InChIInChI=1S/C23H22N2O4/c1-15-12-13-16(22(26)24-17-8-5-4-6-9-17)14-18(15)25-23(27)21-19(28-2)10-7-11-20(21)29-3/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChIKeyITOTYPXUYVWGGW-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

3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid
CID 769955
2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 142804897
N-(2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2842934
3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 55630453
3-[[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]-4-methylbenzoic acid
CID 18907980
2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985879
4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide
CID 86977710
3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide
CID 119712036
4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide
CID 167818948
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide
CID 46410283
N-(3-benzoylphenyl)-3-methoxy-4-methylbenzamide
CID 52843930

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide (CID 154838760) is 2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide is COc1cccc(OC)c1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C.
What is the InChIKey of 2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide?
The InChIKey is ITOTYPXUYVWGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-12-13-16(22(26)24-17-8-5-4-6-9-17)14-18(15)25-23(27)21-19(28-2)10-7-11-20(21)29-3/h4-14H,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide?
2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)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-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 154838760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).