N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide

C19H22N2O3 — CID 46547571

IUPACN-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C19H22N2O3/c1-12(2)18(22)20-15-8-6-14(7-9-15)19(23)21-16-11-13(3)5-10-17(16)24-4/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyXAFLDPXSCPKZSX-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.85
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide

N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide (PubChem CID 46547571) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide
PubChem CID46547571
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C19H22N2O3/c1-12(2)18(22)20-15-8-6-14(7-9-15)19(23)21-16-11-13(3)5-10-17(16)24-4/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyXAFLDPXSCPKZSX-UHFFFAOYSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide
CID 2985570
N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide
CID 55606845
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
4-(ethylamino)-N-(2-methoxy-5-methylphenyl)benzamide
CID 62171726
4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 43001096
N-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide
CID 118877995
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
methyl 2-[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]propanoate
CID 4231793
4-formyl-N-(2-methoxy-5-methylphenyl)benzamide
CID 134025426
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
1-N-(2-methoxyethyl)-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109045188
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide (CID 46547571) is N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide is COc1ccc(C)cc1NC(=O)c1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide?
The InChIKey is XAFLDPXSCPKZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12(2)18(22)20-15-8-6-14(7-9-15)19(23)21-16-11-13(3)5-10-17(16)24-4/h5-12H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide?
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 46547571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).