3-(dimethylamino)-N-(3-phenylpropyl)benzamide

C18H22N2O — CID 25335787

IUPAC3-(dimethylamino)-N-(3-phenylpropyl)benzamide
SMILESCN(C)c1cccc(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C18H22N2O/c1-20(2)17-12-6-11-16(14-17)18(21)19-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3,(H,19,21)
InChIKeyPGYBRZJDVLUYLY-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.12
Rot. Bonds6

About 3-(dimethylamino)-N-(3-phenylpropyl)benzamide

3-(dimethylamino)-N-(3-phenylpropyl)benzamide (PubChem CID 25335787) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(3-phenylpropyl)benzamide
PubChem CID25335787
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(dimethylamino)-N-(3-phenylpropyl)benzamide
SMILESCN(C)c1cccc(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C18H22N2O/c1-20(2)17-12-6-11-16(14-17)18(21)19-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3,(H,19,21)
InChIKeyPGYBRZJDVLUYLY-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
4-[[3-(dimethylamino)benzoyl]amino]butanoic acid
CID 43089726
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889854
N-(5-chloropentyl)-3-(dimethylamino)benzamide
CID 107321118
1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one
CID 105093194
3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 37270914
3-(dimethylamino)-N-(3,3-diphenylpropyl)benzamide
CID 7892053
3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 47182779
3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide
CID 90500669
3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide
CID 46434078
N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide
CID 46424122
3-(dimethylamino)-N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110795352

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(3-phenylpropyl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(3-phenylpropyl)benzamide (CID 25335787) is 3-(dimethylamino)-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(3-phenylpropyl)benzamide is CN(C)c1cccc(C(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 3-(dimethylamino)-N-(3-phenylpropyl)benzamide?
The InChIKey is PGYBRZJDVLUYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-20(2)17-12-6-11-16(14-17)18(21)19-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3,(H,19,21).
What are the key properties of 3-(dimethylamino)-N-(3-phenylpropyl)benzamide?
3-(dimethylamino)-N-(3-phenylpropyl)benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 25335787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).