3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide

C24H24N2O3 — CID 17252287

IUPAC3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-16-7-13-22(14-8-16)29-18(3)23(27)25-20-9-11-21(12-10-20)26-24(28)19-6-4-5-17(2)15-19/h4-15,18H,1-3H3,(H,25,27)(H,26,28)
InChIKeyHTCNDVLZTZMHGA-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.96
Rot. Bonds6

About 3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide

3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide (PubChem CID 17252287) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide
PubChem CID17252287
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-16-7-13-22(14-8-16)29-18(3)23(27)25-20-9-11-21(12-10-20)26-24(28)19-6-4-5-17(2)15-19/h4-15,18H,1-3H3,(H,25,27)(H,26,28)
InChIKeyHTCNDVLZTZMHGA-UHFFFAOYSA-N
XLogP4.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877477
(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771480
3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4952004
3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877483
(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7925185
N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 43877922
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109056925
(2R)-N-(4-benzoylphenyl)-2-(4-methylphenoxy)propanamide
CID 1019881
4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235023
N-(3-methylphenyl)-3-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 43877491
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide (CID 17252287) is 3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide is Cc1ccc(OC(C)C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1.
What is the InChIKey of 3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide?
The InChIKey is HTCNDVLZTZMHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-16-7-13-22(14-8-16)29-18(3)23(27)25-20-9-11-21(12-10-20)26-24(28)19-6-4-5-17(2)15-19/h4-15,18H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide?
3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 17252287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).