N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide

C21H27N3O2 — CID 41306011

IUPACN-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
SMILESCN(CCCNC(=O)CCNC(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H27N3O2/c1-24(17-18-9-4-2-5-10-18)16-8-14-22-20(25)13-15-23-21(26)19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3,(H,22,25)(H,23,26)
InChIKeyRWAHRKYVNGMCCQ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.44
Rot. Bonds10

About N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide

N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide (PubChem CID 41306011) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
PubChem CID41306011
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
SMILESCN(CCCNC(=O)CCNC(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H27N3O2/c1-24(17-18-9-4-2-5-10-18)16-8-14-22-20(25)13-15-23-21(26)19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3,(H,22,25)(H,23,26)
InChIKeyRWAHRKYVNGMCCQ-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
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

N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18272017
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 29478462
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide
CID 28971541
4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide
CID 113236698
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119835670
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide (CID 41306011) is N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide is CN(CCCNC(=O)CCNC(=O)c1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide?
The InChIKey is RWAHRKYVNGMCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-24(17-18-9-4-2-5-10-18)16-8-14-22-20(25)13-15-23-21(26)19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide?
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.44, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 41306011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).