N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride

C15H27Cl2N3O — CID 119434376

IUPACN-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
SMILESCCCN(C)c1ccc(C(=O)NCCCNC)cc1.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-4-12-18(3)14-8-6-13(7-9-14)15(19)17-11-5-10-16-2;;/h6-9,16H,4-5,10-12H2,1-3H3,(H,17,19);2*1H
InChIKeyMOZYCMIRFNLHJK-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.72
Rot. Bonds8

About N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride

N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride (PubChem CID 119434376) has the molecular formula C15H27Cl2N3O and a molecular weight of 336.31 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
PubChem CID119434376
Molecular FormulaC15H27Cl2N3O
Molecular Weight336.31 g/mol
Exact Mass335.15
IUPAC NameN-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
SMILESCCCN(C)c1ccc(C(=O)NCCCNC)cc1.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-4-12-18(3)14-8-6-13(7-9-14)15(19)17-11-5-10-16-2;;/h6-9,16H,4-5,10-12H2,1-3H3,(H,17,19);2*1H
InChIKeyMOZYCMIRFNLHJK-UHFFFAOYSA-N
XLogP2.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.72
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-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119394671
N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride
CID 119433201
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
N-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119630817
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
N-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide
CID 119644057
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
N-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119431070
4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide
CID 119433593

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride (CID 119434376) is N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride is CCCN(C)c1ccc(C(=O)NCCCNC)cc1.Cl.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride?
The InChIKey is MOZYCMIRFNLHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.2ClH/c1-4-12-18(3)14-8-6-13(7-9-14)15(19)17-11-5-10-16-2;;/h6-9,16H,4-5,10-12H2,1-3H3,(H,17,19);2*1H.
What are the key properties of N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride?
N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride has a molecular weight of 336.31 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride is sourced from PubChem (CID 119434376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).