2-benzoyl-N-[3-(dimethylamino)propyl]benzamide

C19H22N2O2 — CID 78793921

IUPAC2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-21(2)14-8-13-20-19(23)17-12-7-6-11-16(17)18(22)15-9-4-3-5-10-15/h3-7,9-12H,8,13-14H2,1-2H3,(H,20,23)
InChIKeySOPKPHCNEKVJMK-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.60
Rot. Bonds7

About 2-benzoyl-N-[3-(dimethylamino)propyl]benzamide

2-benzoyl-N-[3-(dimethylamino)propyl]benzamide (PubChem CID 78793921) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-benzoyl-N-[3-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound Name2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
PubChem CID78793921
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-21(2)14-8-13-20-19(23)17-12-7-6-11-16(17)18(22)15-9-4-3-5-10-15/h3-7,9-12H,8,13-14H2,1-2H3,(H,20,23)
InChIKeySOPKPHCNEKVJMK-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzoyl-N-(3-methoxypropyl)benzamide
CID 11841231
methyl 4-[(2-benzoylbenzoyl)amino]butanoate
CID 33234645
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride
CID 52995391
2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzoic acid
CID 113431488
N-[3-(dimethylamino)propyl]-2-isocyanatobenzamide
CID 169353387
(2R)-2-amino-6-[(2-benzoylbenzoyl)amino]hexanoic acid
CID 67015249
N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide
CID 17224742
2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide
CID 168521609
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide
CID 119431025
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[3-(dimethylamino)propyl]benzamide?
The IUPAC name of 2-benzoyl-N-[3-(dimethylamino)propyl]benzamide (CID 78793921) is 2-benzoyl-N-[3-(dimethylamino)propyl]benzamide.
What is the SMILES notation for 2-benzoyl-N-[3-(dimethylamino)propyl]benzamide?
The canonical SMILES for 2-benzoyl-N-[3-(dimethylamino)propyl]benzamide is CN(C)CCCNC(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-N-[3-(dimethylamino)propyl]benzamide?
The InChIKey is SOPKPHCNEKVJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-21(2)14-8-13-20-19(23)17-12-7-6-11-16(17)18(22)15-9-4-3-5-10-15/h3-7,9-12H,8,13-14H2,1-2H3,(H,20,23).
What are the key properties of 2-benzoyl-N-[3-(dimethylamino)propyl]benzamide?
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-[3-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 78793921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).