3-(dimethylamino)propyl 2-(benzylamino)benzoate

C19H24N2O2 — CID 91404854

IUPAC3-(dimethylamino)propyl 2-(benzylamino)benzoate
SMILESCN(C)CCCOC(=O)c1ccccc1NCc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-21(2)13-8-14-23-19(22)17-11-6-7-12-18(17)20-15-16-9-4-3-5-10-16/h3-7,9-12,20H,8,13-15H2,1-2H3
InChIKeyOGWPAAZYZSFTFT-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.41
Rot. Bonds8

About 3-(dimethylamino)propyl 2-(benzylamino)benzoate

3-(dimethylamino)propyl 2-(benzylamino)benzoate (PubChem CID 91404854) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-(dimethylamino)propyl 2-(benzylamino)benzoate.

Molecular Properties

Compound Name3-(dimethylamino)propyl 2-(benzylamino)benzoate
PubChem CID91404854
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-(dimethylamino)propyl 2-(benzylamino)benzoate
SMILESCN(C)CCCOC(=O)c1ccccc1NCc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-21(2)13-8-14-23-19(22)17-11-6-7-12-18(17)20-15-16-9-4-3-5-10-16/h3-7,9-12,20H,8,13-15H2,1-2H3
InChIKeyOGWPAAZYZSFTFT-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl 2-(benzylamino)benzoate?
The IUPAC name of 3-(dimethylamino)propyl 2-(benzylamino)benzoate (CID 91404854) is 3-(dimethylamino)propyl 2-(benzylamino)benzoate.
What is the SMILES notation for 3-(dimethylamino)propyl 2-(benzylamino)benzoate?
The canonical SMILES for 3-(dimethylamino)propyl 2-(benzylamino)benzoate is CN(C)CCCOC(=O)c1ccccc1NCc1ccccc1.
What is the InChIKey of 3-(dimethylamino)propyl 2-(benzylamino)benzoate?
The InChIKey is OGWPAAZYZSFTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-21(2)13-8-14-23-19(22)17-11-6-7-12-18(17)20-15-16-9-4-3-5-10-16/h3-7,9-12,20H,8,13-15H2,1-2H3.
What are the key properties of 3-(dimethylamino)propyl 2-(benzylamino)benzoate?
3-(dimethylamino)propyl 2-(benzylamino)benzoate has a molecular weight of 312.41 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl 2-(benzylamino)benzoate is sourced from PubChem (CID 91404854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).