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

C18H22N2O — CID 27647106

IUPAC4-(dimethylamino)-N-(3-phenylpropyl)benzamide
SMILESCN(C)c1ccc(C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-20(2)17-12-10-16(11-13-17)18(21)19-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13H,6,9,14H2,1-2H3,(H,19,21)
InChIKeySREUSNPEQBNAAM-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.12
Rot. Bonds6

About 4-(dimethylamino)-N-(3-phenylpropyl)benzamide

4-(dimethylamino)-N-(3-phenylpropyl)benzamide (PubChem CID 27647106) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(3-phenylpropyl)benzamide
PubChem CID27647106
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-(dimethylamino)-N-(3-phenylpropyl)benzamide
SMILESCN(C)c1ccc(C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-20(2)17-12-10-16(11-13-17)18(21)19-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13H,6,9,14H2,1-2H3,(H,19,21)
InChIKeySREUSNPEQBNAAM-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

N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide
CID 46424122
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
4-(dimethylamino)-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 108540008
4-cyano-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889856
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 48846619
4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
CID 24686106
4-(hydroxyamino)-N-(3-phenylpropyl)benzamide
CID 87991193
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889854

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(3-phenylpropyl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(3-phenylpropyl)benzamide (CID 27647106) is 4-(dimethylamino)-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(3-phenylpropyl)benzamide is CN(C)c1ccc(C(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(3-phenylpropyl)benzamide?
The InChIKey is SREUSNPEQBNAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-20(2)17-12-10-16(11-13-17)18(21)19-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13H,6,9,14H2,1-2H3,(H,19,21).
What are the key properties of 4-(dimethylamino)-N-(3-phenylpropyl)benzamide?
4-(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 4-(dimethylamino)-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 27647106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).