2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide

C26H28N2O3 — CID 17233576

IUPAC2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide
SMILESCC(C)COc1ccccc1C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C26H28N2O3/c1-19(2)18-31-24-11-7-6-10-23(24)26(30)28-22-15-13-21(14-16-22)27-25(29)17-12-20-8-4-3-5-9-20/h3-11,13-16,19H,12,17-18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyJRUSHCVACBTJPS-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.55
Rot. Bonds9

About 2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide

2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide (PubChem CID 17233576) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide
PubChem CID17233576
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide
SMILESCC(C)COc1ccccc1C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C26H28N2O3/c1-19(2)18-31-24-11-7-6-10-23(24)26(30)28-22-15-13-21(14-16-22)27-25(29)17-12-20-8-4-3-5-9-20/h3-11,13-16,19H,12,17-18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyJRUSHCVACBTJPS-UHFFFAOYSA-N
XLogP5.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235611
N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
CID 17187605
N-[4-(methylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 28642656
2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4945295
2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 4940660
N-(4-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide
CID 4945641
2-(2-methylpropoxy)-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17067134
N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide
CID 4945346
2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17067004
2-butoxy-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 17233730
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945399

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide?
The IUPAC name of 2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide (CID 17233576) is 2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide is CC(C)COc1ccccc1C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of 2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide?
The InChIKey is JRUSHCVACBTJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-19(2)18-31-24-11-7-6-10-23(24)26(30)28-22-15-13-21(14-16-22)27-25(29)17-12-20-8-4-3-5-9-20/h3-11,13-16,19H,12,17-18H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide?
2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 5.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 17233576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).