2-(dibenzylamino)-2-methoxy-3-phenylpropanal

C24H25NO2 — CID 57243859

IUPAC2-(dibenzylamino)-2-methoxy-3-phenylpropanal
SMILESCOC(C=O)(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25NO2/c1-27-24(20-26,17-21-11-5-2-6-12-21)25(18-22-13-7-3-8-14-22)19-23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3
InChIKeySNLFHGXSGZMZBY-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.47
Rot. Bonds9

About 2-(dibenzylamino)-2-methoxy-3-phenylpropanal

2-(dibenzylamino)-2-methoxy-3-phenylpropanal (PubChem CID 57243859) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(dibenzylamino)-2-methoxy-3-phenylpropanal.

Molecular Properties

Compound Name2-(dibenzylamino)-2-methoxy-3-phenylpropanal
PubChem CID57243859
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name2-(dibenzylamino)-2-methoxy-3-phenylpropanal
SMILESCOC(C=O)(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25NO2/c1-27-24(20-26,17-21-11-5-2-6-12-21)25(18-22-13-7-3-8-14-22)19-23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3
InChIKeySNLFHGXSGZMZBY-UHFFFAOYSA-N
XLogP4.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(dibenzylamino)-2-methoxy-3-phenylpropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethoxy-3-phenylpropanal
CID 12836204
(2-methoxy-2-methylpropyl)benzene
CID 3842751
N-benzyl-N-(methoxymethyl)-2-methylsilylpropan-2-amine
CID 173035203
N-[(2R)-2-amino-1-phenylpropan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 87919991
2-methoxy-2-methyl-4-phenylbutanal
CID 105446188
3-benzyl-3-methoxy-4-phenylbutan-2-one
CID 150312877
(2S)-2-benzyl-2-(dibenzylamino)pentanoic acid
CID 66813994
2-cyano-2-methoxy-3-phenylpropanoic acid
CID 149477841
N,N-dibenzyl-2-methyl-1-phenylhexan-2-amine
CID 164668380
2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine
CID 130158297
3-(dibenzylamino)-2,2-difluoropropanal
CID 139388979
N-benzyl-N-methanidyl-1-phenylmethanamine
CID 20756684

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-2-methoxy-3-phenylpropanal?
The IUPAC name of 2-(dibenzylamino)-2-methoxy-3-phenylpropanal (CID 57243859) is 2-(dibenzylamino)-2-methoxy-3-phenylpropanal.
What is the SMILES notation for 2-(dibenzylamino)-2-methoxy-3-phenylpropanal?
The canonical SMILES for 2-(dibenzylamino)-2-methoxy-3-phenylpropanal is COC(C=O)(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)-2-methoxy-3-phenylpropanal?
The InChIKey is SNLFHGXSGZMZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-27-24(20-26,17-21-11-5-2-6-12-21)25(18-22-13-7-3-8-14-22)19-23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3.
What are the key properties of 2-(dibenzylamino)-2-methoxy-3-phenylpropanal?
2-(dibenzylamino)-2-methoxy-3-phenylpropanal has a molecular weight of 359.47 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-2-methoxy-3-phenylpropanal is sourced from PubChem (CID 57243859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).