2-benzyl-N,N'-bis(1-phenylethyl)propanediamide

C26H28N2O2 — CID 3756499

IUPAC2-benzyl-N,N'-bis(1-phenylethyl)propanediamide
SMILESCC(NC(=O)C(Cc1ccccc1)C(=O)NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-19(22-14-8-4-9-15-22)27-25(29)24(18-21-12-6-3-7-13-21)26(30)28-20(2)23-16-10-5-11-17-23/h3-17,19-20,24H,18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyZJWXXRKVVWUDSC-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.60
Rot. Bonds8

About 2-benzyl-N,N'-bis(1-phenylethyl)propanediamide

2-benzyl-N,N'-bis(1-phenylethyl)propanediamide (PubChem CID 3756499) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-benzyl-N,N'-bis(1-phenylethyl)propanediamide.

Molecular Properties

Compound Name2-benzyl-N,N'-bis(1-phenylethyl)propanediamide
PubChem CID3756499
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name2-benzyl-N,N'-bis(1-phenylethyl)propanediamide
SMILESCC(NC(=O)C(Cc1ccccc1)C(=O)NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-19(22-14-8-4-9-15-22)27-25(29)24(18-21-12-6-3-7-13-21)26(30)28-20(2)23-16-10-5-11-17-23/h3-17,19-20,24H,18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyZJWXXRKVVWUDSC-UHFFFAOYSA-N
XLogP4.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 102395814
[(2S)-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] acetate
CID 67657735
2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N,N'-bis(1-phenylethyl)propanediamide
CID 67122353
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide
CID 1207292
2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide
CID 59684320
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656
(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N,N'-bis(1-phenylethyl)propanediamide?
The IUPAC name of 2-benzyl-N,N'-bis(1-phenylethyl)propanediamide (CID 3756499) is 2-benzyl-N,N'-bis(1-phenylethyl)propanediamide.
What is the SMILES notation for 2-benzyl-N,N'-bis(1-phenylethyl)propanediamide?
The canonical SMILES for 2-benzyl-N,N'-bis(1-phenylethyl)propanediamide is CC(NC(=O)C(Cc1ccccc1)C(=O)NC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzyl-N,N'-bis(1-phenylethyl)propanediamide?
The InChIKey is ZJWXXRKVVWUDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-19(22-14-8-4-9-15-22)27-25(29)24(18-21-12-6-3-7-13-21)26(30)28-20(2)23-16-10-5-11-17-23/h3-17,19-20,24H,18H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2-benzyl-N,N'-bis(1-phenylethyl)propanediamide?
2-benzyl-N,N'-bis(1-phenylethyl)propanediamide has a molecular weight of 400.52 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N,N'-bis(1-phenylethyl)propanediamide is sourced from PubChem (CID 3756499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).