N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide

C24H24N2O3 — CID 55708450

IUPACN-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H24N2O3/c1-16(2)23(27)25-19-13-12-17(3)22(15-19)26-24(28)18-8-7-11-21(14-18)29-20-9-5-4-6-10-20/h4-16H,1-3H3,(H,25,27)(H,26,28)
InChIKeyZIZYLVASWXWKKB-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.63
Rot. Bonds6

About N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide

N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide (PubChem CID 55708450) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide
PubChem CID55708450
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H24N2O3/c1-16(2)23(27)25-19-13-12-17(3)22(15-19)26-24(28)18-8-7-11-21(14-18)29-20-9-5-4-6-10-20/h4-16H,1-3H3,(H,25,27)(H,26,28)
InChIKeyZIZYLVASWXWKKB-UHFFFAOYSA-N
XLogP5.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide
CID 46485899
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide
CID 55840659
N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 46454255
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide
CID 86977710
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
N-(5-acetamido-2-methylphenyl)-3-ethoxybenzamide
CID 108788826
1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide
CID 86991547
3-phenoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 8752814
N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide
CID 2937599
N-(3-chloro-2-methylphenyl)-3-phenoxybenzamide
CID 2092667

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide?
The IUPAC name of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide (CID 55708450) is N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide.
What is the SMILES notation for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide?
The canonical SMILES for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide?
The InChIKey is ZIZYLVASWXWKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-16(2)23(27)25-19-13-12-17(3)22(15-19)26-24(28)18-8-7-11-21(14-18)29-20-9-5-4-6-10-20/h4-16H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide?
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide has a molecular weight of 388.47 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide is sourced from PubChem (CID 55708450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).