(2S)-2-(dibenzylamino)-3-phenylmethoxypropanal

C24H25NO2 — CID 11783340

IUPAC(2S)-2-(dibenzylamino)-3-phenylmethoxypropanal
SMILESO=C[C@H](COCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25NO2/c26-18-24(20-27-19-23-14-8-3-9-15-23)25(16-21-10-4-1-5-11-21)17-22-12-6-2-7-13-22/h1-15,18,24H,16-17,19-20H2/t24-/m1/s1
InChIKeyCUSBTJHKSKPKLU-XMMPIXPASA-N
MW359.47 g/mol
LogP4.47
Rot. Bonds10

About (2S)-2-(dibenzylamino)-3-phenylmethoxypropanal

(2S)-2-(dibenzylamino)-3-phenylmethoxypropanal (PubChem CID 11783340) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2S)-2-(dibenzylamino)-3-phenylmethoxypropanal.

Molecular Properties

Compound Name(2S)-2-(dibenzylamino)-3-phenylmethoxypropanal
PubChem CID11783340
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(2S)-2-(dibenzylamino)-3-phenylmethoxypropanal
SMILESO=C[C@H](COCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25NO2/c26-18-24(20-27-19-23-14-8-3-9-15-23)25(16-21-10-4-1-5-11-21)17-22-12-6-2-7-13-22/h1-15,18,24H,16-17,19-20H2/t24-/m1/s1
InChIKeyCUSBTJHKSKPKLU-XMMPIXPASA-N
XLogP4.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
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'}

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Related Compounds

(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanal
CID 10872677
benzyl N-benzyl-N-[(2S)-1-oxo-3-(phenylmethoxymethoxy)propan-2-yl]carbamate
CID 102119288
(2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol
CID 101031219
(2S)-2-(dibenzylamino)-5-methylhexanal
CID 11461035
methyl (2S)-2-(dibenzylamino)-3-phenylmethoxypropanoate
CID 15549566
(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanal
CID 25112676
(2S)-2-(dibenzylamino)-3-phenylmethoxybutanal
CID 131854366
(2S,3R)-2-(dibenzylamino)-3-phenylmethoxybutanal
CID 101382719
benzyl N-(3-methylbut-2-enyl)-N-[(2R)-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
CID 134872641
4-methyl-2-(phenylmethoxymethyl)pentanal
CID 141220346
3-[benzyl(ethyl)amino]-4-oxobutanoic acid
CID 142656024
benzyl (2S)-2-(dibenzylamino)-5-oxopentanoate
CID 10993087

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dibenzylamino)-3-phenylmethoxypropanal?
The IUPAC name of (2S)-2-(dibenzylamino)-3-phenylmethoxypropanal (CID 11783340) is (2S)-2-(dibenzylamino)-3-phenylmethoxypropanal.
What is the SMILES notation for (2S)-2-(dibenzylamino)-3-phenylmethoxypropanal?
The canonical SMILES for (2S)-2-(dibenzylamino)-3-phenylmethoxypropanal is O=C[C@H](COCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-(dibenzylamino)-3-phenylmethoxypropanal?
The InChIKey is CUSBTJHKSKPKLU-XMMPIXPASA-N. The full InChI is InChI=1S/C24H25NO2/c26-18-24(20-27-19-23-14-8-3-9-15-23)25(16-21-10-4-1-5-11-21)17-22-12-6-2-7-13-22/h1-15,18,24H,16-17,19-20H2/t24-/m1/s1.
What are the key properties of (2S)-2-(dibenzylamino)-3-phenylmethoxypropanal?
(2S)-2-(dibenzylamino)-3-phenylmethoxypropanal has a molecular weight of 359.47 g/mol, XLogP of 4.47, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibenzylamino)-3-phenylmethoxypropanal is sourced from PubChem (CID 11783340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).