2-(dibenzylamino)-3-phenylpropanal

C23H23NO — CID 563896

IUPAC2-(dibenzylamino)-3-phenylpropanal
SMILESO=CC(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23NO/c25-19-23(16-20-10-4-1-5-11-20)24(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15,19,23H,16-18H2
InChIKeyLVENEHWRFFVCML-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.50
Rot. Bonds8

About 2-(dibenzylamino)-3-phenylpropanal

2-(dibenzylamino)-3-phenylpropanal (PubChem CID 563896) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(dibenzylamino)-3-phenylpropanal.

Molecular Properties

Compound Name2-(dibenzylamino)-3-phenylpropanal
PubChem CID563896
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name2-(dibenzylamino)-3-phenylpropanal
SMILESO=CC(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23NO/c25-19-23(16-20-10-4-1-5-11-20)24(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15,19,23H,16-18H2
InChIKeyLVENEHWRFFVCML-UHFFFAOYSA-N
XLogP4.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-isopropyl-3-phenylpropanamide
CID 875288
4-Phenyl-1-(phenylmethyl)-4-piperidinecarboxaldehyde
CID 96727
Methyl N,N-dibenzyl-L-phenylalaninate
CID 15297227
(S)-2-Dibenzylamino-propionaldehyde
CID 11107860
N,N-dibenzyl-2-phenylacetamide
CID 306760
1-Methyl-2,6-diphenylpiperidin-4-one
CID 280708
4-(Dibenzylamino)cyclohexan-1-one
CID 22009902
2-(Dibenzylamino)-1-phenylethanone
CID 237091
cis-1-Methyl-2,6-diphenyl-4-piperidone
CID 721014
2-[(Dibenzylamino)methyl]cyclohexanone
CID 376402
3-Benzyl-4-oxo-2,6-diphenylpiperidine-1-carbaldehyde
CID 16724505
(2R,6S)-1-allyl-2,6-diphenyl-piperidin-4-one
CID 71460473

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-3-phenylpropanal?
The IUPAC name of 2-(dibenzylamino)-3-phenylpropanal (CID 563896) is 2-(dibenzylamino)-3-phenylpropanal.
What is the SMILES notation for 2-(dibenzylamino)-3-phenylpropanal?
The canonical SMILES for 2-(dibenzylamino)-3-phenylpropanal is O=CC(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)-3-phenylpropanal?
The InChIKey is LVENEHWRFFVCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c25-19-23(16-20-10-4-1-5-11-20)24(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15,19,23H,16-18H2.
What are the key properties of 2-(dibenzylamino)-3-phenylpropanal?
2-(dibenzylamino)-3-phenylpropanal has a molecular weight of 329.44 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-3-phenylpropanal is sourced from PubChem (CID 563896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).