N-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide

C25H26N2O3 — CID 4944490

IUPACN-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C25H26N2O3/c1-16-9-13-21(14-10-16)30-19(4)24(28)27-23-8-6-5-7-22(23)25(29)26-20-12-11-17(2)18(3)15-20/h5-15,19H,1-4H3,(H,26,29)(H,27,28)
InChIKeyOCGYJRCTLOWUFN-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.27
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide

N-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide (PubChem CID 4944490) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide
PubChem CID4944490
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C25H26N2O3/c1-16-9-13-21(14-10-16)30-19(4)24(28)27-23-8-6-5-7-22(23)25(29)26-20-12-11-17(2)18(3)15-20/h5-15,19H,1-4H3,(H,26,29)(H,27,28)
InChIKeyOCGYJRCTLOWUFN-UHFFFAOYSA-N
XLogP5.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide
CID 4944520
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
N-(2-methoxyethyl)-2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 9173265
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
N-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide
CID 4942074
N-(4-fluorophenyl)-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7312062
N-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 4944912
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 42426832
N-cyclohexyl-2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 2236056
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methylphenyl)propanamide
CID 95077645
2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361272

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide (CID 4944490) is N-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide is Cc1ccc(OC(C)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide?
The InChIKey is OCGYJRCTLOWUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-16-9-13-21(14-10-16)30-19(4)24(28)27-23-8-6-5-7-22(23)25(29)26-20-12-11-17(2)18(3)15-20/h5-15,19H,1-4H3,(H,26,29)(H,27,28).
What are the key properties of N-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide?
N-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide has a molecular weight of 402.49 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 4944490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).