N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide

C20H25N3O2 — CID 46424122

IUPACN-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide
SMILESCN(C)c1ccc(CCCNC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-23(2)18-12-10-16(11-13-18)7-6-14-21-19(24)15-22-20(25)17-8-4-3-5-9-17/h3-5,8-13H,6-7,14-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyZEMXUZTZOPYOJU-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.23
Rot. Bonds8

About N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide

N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide (PubChem CID 46424122) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide
PubChem CID46424122
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide
SMILESCN(C)c1ccc(CCCNC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-23(2)18-12-10-16(11-13-18)7-6-14-21-19(24)15-22-20(25)17-8-4-3-5-9-17/h3-5,8-13H,6-7,14-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyZEMXUZTZOPYOJU-UHFFFAOYSA-N
XLogP2.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46414564
5-bromo-N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 55853493
N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889854
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
2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide
CID 113176712
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide
CID 16892017
N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119432544

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide (CID 46424122) is N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide is CN(C)c1ccc(CCCNC(=O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide?
The InChIKey is ZEMXUZTZOPYOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-23(2)18-12-10-16(11-13-18)7-6-14-21-19(24)15-22-20(25)17-8-4-3-5-9-17/h3-5,8-13H,6-7,14-15H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide?
N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46424122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).