3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride

C18H25Cl2N3O — CID 119835670

IUPAC3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride
SMILESCN(CCCNC(=O)c1cccc(N)c1)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-21(14-15-7-3-2-4-8-15)12-6-11-20-18(22)16-9-5-10-17(19)13-16;;/h2-5,7-10,13H,6,11-12,14,19H2,1H3,(H,20,22);2*1H
InChIKeyHUCZRKXWMOIHNL-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.36
Rot. Bonds7

About 3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride

3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride (PubChem CID 119835670) has the molecular formula C18H25Cl2N3O and a molecular weight of 370.32 g/mol. Its IUPAC name is 3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride
PubChem CID119835670
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.32 g/mol
Exact Mass369.14
IUPAC Name3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride
SMILESCN(CCCNC(=O)c1cccc(N)c1)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-21(14-15-7-3-2-4-8-15)12-6-11-20-18(22)16-9-5-10-17(19)13-16;;/h2-5,7-10,13H,6,11-12,14,19H2,1H3,(H,20,22);2*1H
InChIKeyHUCZRKXWMOIHNL-UHFFFAOYSA-N
XLogP3.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 19353694
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
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N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
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CID 119851139
3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119739690
3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide
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2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
3-amino-N-hexadecylbenzamide;hydrochloride
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3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride
CID 119871098

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride (CID 119835670) is 3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride is CN(CCCNC(=O)c1cccc(N)c1)Cc1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride?
The InChIKey is HUCZRKXWMOIHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.2ClH/c1-21(14-15-7-3-2-4-8-15)12-6-11-20-18(22)16-9-5-10-17(19)13-16;;/h2-5,7-10,13H,6,11-12,14,19H2,1H3,(H,20,22);2*1H.
What are the key properties of 3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride?
3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride has a molecular weight of 370.32 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride is sourced from PubChem (CID 119835670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).