N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride

C14H23ClN2O — CID 119433201

IUPACN-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride
SMILESCCCc1ccc(C(=O)NCCCNC)cc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-3-5-12-6-8-13(9-7-12)14(17)16-11-4-10-15-2;/h6-9,15H,3-5,10-11H2,1-2H3,(H,16,17);1H
InChIKeyRRWUGDFSIFKYJK-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.40
Rot. Bonds7

About N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride

N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride (PubChem CID 119433201) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride
PubChem CID119433201
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride
SMILESCCCc1ccc(C(=O)NCCCNC)cc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-3-5-12-6-8-13(9-7-12)14(17)16-11-4-10-15-2;/h6-9,15H,3-5,10-11H2,1-2H3,(H,16,17);1H
InChIKeyRRWUGDFSIFKYJK-UHFFFAOYSA-N
XLogP2.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-4-propylbenzamide
CID 70894308
N-hexyl-4-propylbenzamide
CID 70894310
N-(2-aminoethyl)-4-propylbenzamide;hydrochloride
CID 119384783
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119499870
N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119434376
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
N-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119431070
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
4-acetyl-N-[6-(methylamino)hexyl]benzamide
CID 54472432
N-[2-(diethylamino)ethyl]-4-[2-(methylamino)ethyl]benzamide
CID 10564500
N-(3,3-dimethylbutyl)-4-(4-propylphenyl)benzamide
CID 21361632

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride (CID 119433201) is N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride is CCCc1ccc(C(=O)NCCCNC)cc1.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride?
The InChIKey is RRWUGDFSIFKYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-3-5-12-6-8-13(9-7-12)14(17)16-11-4-10-15-2;/h6-9,15H,3-5,10-11H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride?
N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride is sourced from PubChem (CID 119433201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).