methyl 3-(dibenzylamino)propanoate

C18H21NO2 — CID 10869793

IUPACmethyl 3-(dibenzylamino)propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H21NO2/c1-21-18(20)12-13-19(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKeyHFSIXFVOVMSIAM-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.25
Rot. Bonds7

About methyl 3-(dibenzylamino)propanoate

methyl 3-(dibenzylamino)propanoate (PubChem CID 10869793) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 3-(dibenzylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(dibenzylamino)propanoate
PubChem CID10869793
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namemethyl 3-(dibenzylamino)propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H21NO2/c1-21-18(20)12-13-19(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKeyHFSIXFVOVMSIAM-UHFFFAOYSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(dibenzylamino)propanoate?
The IUPAC name of methyl 3-(dibenzylamino)propanoate (CID 10869793) is methyl 3-(dibenzylamino)propanoate.
What is the SMILES notation for methyl 3-(dibenzylamino)propanoate?
The canonical SMILES for methyl 3-(dibenzylamino)propanoate is COC(=O)CCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl 3-(dibenzylamino)propanoate?
The InChIKey is HFSIXFVOVMSIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-21-18(20)12-13-19(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3.
What are the key properties of methyl 3-(dibenzylamino)propanoate?
methyl 3-(dibenzylamino)propanoate has a molecular weight of 283.37 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dibenzylamino)propanoate is sourced from PubChem (CID 10869793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).