N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide

C24H24N2O2 — CID 108945995

IUPACN'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide
SMILESCC(NC(=O)CC(=O)N(Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O2/c1-19(21-13-7-3-8-14-21)25-23(27)17-24(28)26(22-15-9-4-10-16-22)18-20-11-5-2-6-12-20/h2-16,19H,17-18H2,1H3,(H,25,27)
InChIKeyKYHQOSWLEOIIRH-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.49
Rot. Bonds7

About N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide

N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide (PubChem CID 108945995) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide.

Molecular Properties

Compound NameN'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide
PubChem CID108945995
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide
SMILESCC(NC(=O)CC(=O)N(Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O2/c1-19(21-13-7-3-8-14-21)25-23(27)17-24(28)26(22-15-9-4-10-16-22)18-20-11-5-2-6-12-20/h2-16,19H,17-18H2,1H3,(H,25,27)
InChIKeyKYHQOSWLEOIIRH-UHFFFAOYSA-N
XLogP4.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide
CID 42859248
2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide
CID 46056741
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide
CID 46052536
5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid
CID 11709377
N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide
CID 92987128
N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987150
N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052356
N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 93333842
N'-benzyl-N,N-diethyl-N'-phenylpropanediamide
CID 108951133
3-amino-N-benzyl-N-phenylbutanamide
CID 61260730
N'-benzyl-N-pentyl-N'-phenylpropanediamide
CID 108951958

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide?
The IUPAC name of N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide (CID 108945995) is N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide.
What is the SMILES notation for N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide?
The canonical SMILES for N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide is CC(NC(=O)CC(=O)N(Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide?
The InChIKey is KYHQOSWLEOIIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-19(21-13-7-3-8-14-21)25-23(27)17-24(28)26(22-15-9-4-10-16-22)18-20-11-5-2-6-12-20/h2-16,19H,17-18H2,1H3,(H,25,27).
What are the key properties of N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide?
N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide has a molecular weight of 372.47 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide is sourced from PubChem (CID 108945995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).