methyl 4-(dibenzylamino)butanoate

C19H23NO2 — CID 78877468

IUPACmethyl 4-(dibenzylamino)butanoate
SMILESCOC(=O)CCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO2/c1-22-19(21)13-8-14-20(15-17-9-4-2-5-10-17)16-18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3
InChIKeyNRSNDQYVNKDANQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.64
Rot. Bonds8

About methyl 4-(dibenzylamino)butanoate

methyl 4-(dibenzylamino)butanoate (PubChem CID 78877468) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is methyl 4-(dibenzylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(dibenzylamino)butanoate
PubChem CID78877468
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Namemethyl 4-(dibenzylamino)butanoate
SMILESCOC(=O)CCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO2/c1-22-19(21)13-8-14-20(15-17-9-4-2-5-10-17)16-18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3
InChIKeyNRSNDQYVNKDANQ-UHFFFAOYSA-N
XLogP3.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(dibenzylamino)butanoate?
The IUPAC name of methyl 4-(dibenzylamino)butanoate (CID 78877468) is methyl 4-(dibenzylamino)butanoate.
What is the SMILES notation for methyl 4-(dibenzylamino)butanoate?
The canonical SMILES for methyl 4-(dibenzylamino)butanoate is COC(=O)CCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl 4-(dibenzylamino)butanoate?
The InChIKey is NRSNDQYVNKDANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-22-19(21)13-8-14-20(15-17-9-4-2-5-10-17)16-18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3.
What are the key properties of methyl 4-(dibenzylamino)butanoate?
methyl 4-(dibenzylamino)butanoate has a molecular weight of 297.40 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(dibenzylamino)butanoate is sourced from PubChem (CID 78877468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).