4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide

C20H27N3O — CID 113236698

IUPAC4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide
SMILESCN(CCCNC(=O)c1ccc(CCN)cc1)Cc1ccccc1
InChIInChI=1S/C20H27N3O/c1-23(16-18-6-3-2-4-7-18)15-5-14-22-20(24)19-10-8-17(9-11-19)12-13-21/h2-4,6-11H,5,12-16,21H2,1H3,(H,22,24)
InChIKeyRUQPPYMBSYNAPS-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.44
Rot. Bonds9

About 4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide

4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide (PubChem CID 113236698) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide
PubChem CID113236698
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide
SMILESCN(CCCNC(=O)c1ccc(CCN)cc1)Cc1ccccc1
InChIInChI=1S/C20H27N3O/c1-23(16-18-6-3-2-4-7-18)15-5-14-22-20(24)19-10-8-17(9-11-19)12-13-21/h2-4,6-11H,5,12-16,21H2,1H3,(H,22,24)
InChIKeyRUQPPYMBSYNAPS-UHFFFAOYSA-N
XLogP2.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
tert-butyl N-[[4-[3-[benzyl(methyl)amino]propylcarbamoyl]phenyl]methyl]carbamate
CID 41307191
3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119835670
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
N-[(2S)-1-[3-[benzyl(methyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25491544
2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 81493917
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide (CID 113236698) is 4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide is CN(CCCNC(=O)c1ccc(CCN)cc1)Cc1ccccc1.
What is the InChIKey of 4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide?
The InChIKey is RUQPPYMBSYNAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-23(16-18-6-3-2-4-7-18)15-5-14-22-20(24)19-10-8-17(9-11-19)12-13-21/h2-4,6-11H,5,12-16,21H2,1H3,(H,22,24).
What are the key properties of 4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide?
4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide has a molecular weight of 325.46 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide is sourced from PubChem (CID 113236698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).