N-benzyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide

C27H30N2O2 — CID 54782283

IUPACN-benzyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide
SMILESCC(C)Cc1ccc(C(C)C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C27H30N2O2/c1-19(2)16-21-12-14-23(15-13-21)20(3)26(30)29-25-11-7-10-24(17-25)27(31)28-18-22-8-5-4-6-9-22/h4-15,17,19-20H,16,18H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyDFSSYZZVZYGIFC-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.56
Rot. Bonds8

About N-benzyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide

N-benzyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide (PubChem CID 54782283) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-benzyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide
PubChem CID54782283
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC NameN-benzyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide
SMILESCC(C)Cc1ccc(C(C)C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C27H30N2O2/c1-19(2)16-21-12-14-23(15-13-21)20(3)26(30)29-25-11-7-10-24(17-25)27(31)28-18-22-8-5-4-6-9-22/h4-15,17,19-20H,16,18H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyDFSSYZZVZYGIFC-UHFFFAOYSA-N
XLogP5.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 5183452
(2R)-N-(3-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 675116
2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide
CID 54782349
N-benzyl-N-methyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylcarbamothioylamino]benzamide
CID 54782745
N-(3-methylphenyl)-3-[2-[4-(2-methylpropyl)phenyl]propanoylcarbamothioylamino]benzamide
CID 54782752
N-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54781971
(2S)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228329
(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228330
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide
CID 1228331
3-iodo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 18204122
N-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 43887128
N-benzyl-3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]benzamide
CID 43887141

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide?
The IUPAC name of N-benzyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide (CID 54782283) is N-benzyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide.
What is the SMILES notation for N-benzyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide?
The canonical SMILES for N-benzyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide is CC(C)Cc1ccc(C(C)C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide?
The InChIKey is DFSSYZZVZYGIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-19(2)16-21-12-14-23(15-13-21)20(3)26(30)29-25-11-7-10-24(17-25)27(31)28-18-22-8-5-4-6-9-22/h4-15,17,19-20H,16,18H2,1-3H3,(H,28,31)(H,29,30).
What are the key properties of N-benzyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide?
N-benzyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide has a molecular weight of 414.55 g/mol, XLogP of 5.56, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide is sourced from PubChem (CID 54782283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).