2-(dibenzylamino)ethyl 3-(dibenzylamino)propanoate

C33H36N2O2 — CID 11123850

IUPAC2-(dibenzylamino)ethyl 3-(dibenzylamino)propanoate
SMILESO=C(CCN(Cc1ccccc1)Cc1ccccc1)OCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C33H36N2O2/c36-33(21-22-34(25-29-13-5-1-6-14-29)26-30-15-7-2-8-16-30)37-24-23-35(27-31-17-9-3-10-18-31)28-32-19-11-4-12-20-32/h1-20H,21-28H2
InChIKeyQJXLVJYFQKIKQD-UHFFFAOYSA-N
MW492.66 g/mol
LogP6.32
Rot. Bonds14

About 2-(dibenzylamino)ethyl 3-(dibenzylamino)propanoate

2-(dibenzylamino)ethyl 3-(dibenzylamino)propanoate (PubChem CID 11123850) has the molecular formula C33H36N2O2 and a molecular weight of 492.66 g/mol. Its IUPAC name is 2-(dibenzylamino)ethyl 3-(dibenzylamino)propanoate.

Molecular Properties

Compound Name2-(dibenzylamino)ethyl 3-(dibenzylamino)propanoate
PubChem CID11123850
Molecular FormulaC33H36N2O2
Molecular Weight492.66 g/mol
Exact Mass492.28
IUPAC Name2-(dibenzylamino)ethyl 3-(dibenzylamino)propanoate
SMILESO=C(CCN(Cc1ccccc1)Cc1ccccc1)OCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C33H36N2O2/c36-33(21-22-34(25-29-13-5-1-6-14-29)26-30-15-7-2-8-16-30)37-24-23-35(27-31-17-9-3-10-18-31)28-32-19-11-4-12-20-32/h1-20H,21-28H2
InChIKeyQJXLVJYFQKIKQD-UHFFFAOYSA-N
XLogP6.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.66
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(dibenzylamino)acetate
CID 3553452
Ethanol, 2-(bis(phenylmethyl)amino)-, 1-acetate
CID 88097
N,N,N',N'-tetrabenzyldiglycolamide
CID 169449646
Methyl3-(dibenzylamino)propanoate
CID 10869793
(S)-ethyl 2-(dibenzylamino)propanoate
CID 10891827
(S)-4-(Dibenzylamino)dihydrofuran-2(3H)-one
CID 11129722
Ethyl 3-(dibenzylamino)-2-fluoropropanoate
CID 58020801
Ethyl 3-(dibenzylamino)-2-fluoro-2-methylpropanoate
CID 90160660
(R)-ethyl 3-(dibenzylamino)-2-fluoropropanoate
CID 118215436
ethyl (2S)-3-(dibenzylamino)-2-fluoropropanoate
CID 129394303
[(2S,3S)-4-(dibenzylamino)-3-fluoro-2-hydroxybutyl] (2S)-3-(dibenzylamino)-2-fluoropropanoate
CID 156690298
3-(Dibenzylamino)-2,2-difluoropropan-1-ol;ethyl 3-(dibenzylamino)-2,2-difluoropropanoate;methane;oxolane
CID 157541829

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)ethyl 3-(dibenzylamino)propanoate?
The IUPAC name of 2-(dibenzylamino)ethyl 3-(dibenzylamino)propanoate (CID 11123850) is 2-(dibenzylamino)ethyl 3-(dibenzylamino)propanoate.
What is the SMILES notation for 2-(dibenzylamino)ethyl 3-(dibenzylamino)propanoate?
The canonical SMILES for 2-(dibenzylamino)ethyl 3-(dibenzylamino)propanoate is O=C(CCN(Cc1ccccc1)Cc1ccccc1)OCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)ethyl 3-(dibenzylamino)propanoate?
The InChIKey is QJXLVJYFQKIKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O2/c36-33(21-22-34(25-29-13-5-1-6-14-29)26-30-15-7-2-8-16-30)37-24-23-35(27-31-17-9-3-10-18-31)28-32-19-11-4-12-20-32/h1-20H,21-28H2.
What are the key properties of 2-(dibenzylamino)ethyl 3-(dibenzylamino)propanoate?
2-(dibenzylamino)ethyl 3-(dibenzylamino)propanoate has a molecular weight of 492.66 g/mol, XLogP of 6.32, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)ethyl 3-(dibenzylamino)propanoate is sourced from PubChem (CID 11123850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).