N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide

C21H27N3O2 — CID 67474503

IUPACN-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
SMILESCN(CCCNC(=O)c1ccccc1)CCCNC(=O)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-24(16-8-14-22-20(25)18-10-4-2-5-11-18)17-9-15-23-21(26)19-12-6-3-7-13-19/h2-7,10-13H,8-9,14-17H2,1H3,(H,22,25)(H,23,26)
InChIKeyQCFCYOJKEHYLOJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.56
Rot. Bonds10

About N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide

N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide (PubChem CID 67474503) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
PubChem CID67474503
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
SMILESCN(CCCNC(=O)c1ccccc1)CCCNC(=O)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-24(16-8-14-22-20(25)18-10-4-2-5-11-18)17-9-15-23-21(26)19-12-6-3-7-13-19/h2-7,10-13H,8-9,14-17H2,1H3,(H,22,25)(H,23,26)
InChIKeyQCFCYOJKEHYLOJ-UHFFFAOYSA-N
XLogP2.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.56
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

N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684
3-[3-[3-aminopropyl(methyl)amino]propylcarbamoyl]benzoic acid
CID 70661699
4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide
CID 17296274
4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide
CID 113236698
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119835670
N-(4-oxopentyl)benzamide
CID 10798281
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
N-(2-aminoethyl)benzamide;ethane
CID 143976252
N-[4-(N-methylanilino)-4-oxobutyl]benzamide
CID 15040615

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide?
The IUPAC name of N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide (CID 67474503) is N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide.
What is the SMILES notation for N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide?
The canonical SMILES for N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide is CN(CCCNC(=O)c1ccccc1)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide?
The InChIKey is QCFCYOJKEHYLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-24(16-8-14-22-20(25)18-10-4-2-5-11-18)17-9-15-23-21(26)19-12-6-3-7-13-19/h2-7,10-13H,8-9,14-17H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide?
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.56, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide is sourced from PubChem (CID 67474503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).