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

C22H28N2O2 — CID 133235466

IUPACN-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)CCc1ccc(C)c(C)c1
InChIInChI=1S/C22H28N2O2/c1-5-17(4)23-22(26)19-8-6-7-9-20(19)24-21(25)13-12-18-11-10-15(2)16(3)14-18/h6-11,14,17H,5,12-13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyWSGUDXYKMYVPGO-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.40
Rot. Bonds7

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

N-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide (PubChem CID 133235466) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide
PubChem CID133235466
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)CCc1ccc(C)c(C)c1
InChIInChI=1S/C22H28N2O2/c1-5-17(4)23-22(26)19-8-6-7-9-20(19)24-21(25)13-12-18-11-10-15(2)16(3)14-18/h6-11,14,17H,5,12-13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyWSGUDXYKMYVPGO-UHFFFAOYSA-N
XLogP4.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-butan-2-yl]-2-[3-(3,4-dimethoxyphenyl)propanoylamino]benzamide
CID 28579202
N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide
CID 60843100
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide
CID 100708807
N-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 133251866
2-[3-(4-methoxy-3-methylphenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 100595887
2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide
CID 110606651
2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide
CID 34755714
N-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515328
N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 17151213
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4-dimethylbenzamide
CID 34734992
N-butan-2-yl-2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 17151196
N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide
CID 126117235

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide?
The IUPAC name of N-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide (CID 133235466) is N-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)CCc1ccc(C)c(C)c1.
What is the InChIKey of N-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide?
The InChIKey is WSGUDXYKMYVPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-5-17(4)23-22(26)19-8-6-7-9-20(19)24-21(25)13-12-18-11-10-15(2)16(3)14-18/h6-11,14,17H,5,12-13H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide?
N-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide has a molecular weight of 352.48 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide is sourced from PubChem (CID 133235466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).