N-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide

C25H26N2O2 — CID 55609495

IUPACN-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1
InChIInChI=1S/C25H26N2O2/c1-18(2)24(28)26-21-12-8-13-22(17-21)27-25(29)23-14-7-6-11-20(23)16-15-19-9-4-3-5-10-19/h3-14,17-18H,15-16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyFKSXEBTVTKMDDZ-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.32
Rot. Bonds7

About N-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide

N-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide (PubChem CID 55609495) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide
PubChem CID55609495
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1
InChIInChI=1S/C25H26N2O2/c1-18(2)24(28)26-21-12-8-13-22(17-21)27-25(29)23-14-7-6-11-20(23)16-15-19-9-4-3-5-10-19/h3-14,17-18H,15-16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyFKSXEBTVTKMDDZ-UHFFFAOYSA-N
XLogP5.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate
CID 1183511
N-(3-acetamido-4-fluorophenyl)-2-(2-phenylethyl)benzamide
CID 55532787
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
CID 38884339
N-[4-(ethylsulfonylamino)phenyl]-2-(2-phenylethyl)benzamide
CID 60556640
N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide
CID 1332956
3-bromo-N-[3-(2-methylpropanoylamino)phenyl]-4-(2-phenylethoxy)benzamide
CID 17189283
2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide
CID 110877152
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
N-(2,5-dimethylphenyl)-2-(2-phenylethyl)benzamide
CID 19167579
2-benzyl-N-(3-methoxyphenyl)benzamide
CID 26914636
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(2-phenylethyl)benzamide
CID 60557012
2-butyl-N-phenylbenzamide
CID 3695058

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide?
The IUPAC name of N-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide (CID 55609495) is N-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide.
What is the SMILES notation for N-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide?
The canonical SMILES for N-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide is CC(C)C(=O)Nc1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1.
What is the InChIKey of N-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide?
The InChIKey is FKSXEBTVTKMDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18(2)24(28)26-21-12-8-13-22(17-21)27-25(29)23-14-7-6-11-20(23)16-15-19-9-4-3-5-10-19/h3-14,17-18H,15-16H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide?
N-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide has a molecular weight of 386.50 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide is sourced from PubChem (CID 55609495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).