4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide

C18H20N2O2 — CID 86977710

IUPAC4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(C)C
InChIInChI=1S/C18H20N2O2/c1-12(2)17(21)20-16-11-14(10-9-13(16)3)18(22)19-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,19,22)(H,20,21)
InChIKeyYXMHJDRECMSTOB-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.84
Rot. Bonds4

About 4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide

4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide (PubChem CID 86977710) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide.

Molecular Properties

Compound Name4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide
PubChem CID86977710
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(C)C
InChIInChI=1S/C18H20N2O2/c1-12(2)17(21)20-16-11-14(10-9-13(16)3)18(22)19-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,19,22)(H,20,21)
InChIKeyYXMHJDRECMSTOB-UHFFFAOYSA-N
XLogP3.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[acetyl(propan-2-yl)amino]propylcarbamoylamino]-4-methyl-N-phenylbenzamide
CID 47039647
4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide
CID 167818948
3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 893199
2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide
CID 154838760
4-methyl-3-(phenylcarbamoylamino)benzamide
CID 110472244
3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide
CID 141480879
3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide
CID 119049757
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide
CID 119712036
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide
CID 55708450
4-methyl-4-[[2-methyl-5-(phenylcarbamoyl)phenyl]carbamoylamino]pentanoic acid
CID 122076052
N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
CID 55847462

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide?
The IUPAC name of 4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide (CID 86977710) is 4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide.
What is the SMILES notation for 4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide?
The canonical SMILES for 4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide is Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(C)C.
What is the InChIKey of 4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide?
The InChIKey is YXMHJDRECMSTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12(2)17(21)20-16-11-14(10-9-13(16)3)18(22)19-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide?
4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide has a molecular weight of 296.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide is sourced from PubChem (CID 86977710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).