N-(3-aminobutyl)-4-methylbenzamide;hydrochloride

C12H19ClN2O — CID 119497304

IUPACN-(3-aminobutyl)-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCC(C)N)cc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-9-3-5-11(6-4-9)12(15)14-8-7-10(2)13;/h3-6,10H,7-8,13H2,1-2H3,(H,14,15);1H
InChIKeyJLKOWPHAKIKTRD-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.88
Rot. Bonds4

About N-(3-aminobutyl)-4-methylbenzamide;hydrochloride

N-(3-aminobutyl)-4-methylbenzamide;hydrochloride (PubChem CID 119497304) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-methylbenzamide;hydrochloride
PubChem CID119497304
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC NameN-(3-aminobutyl)-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCC(C)N)cc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-9-3-5-11(6-4-9)12(15)14-8-7-10(2)13;/h3-6,10H,7-8,13H2,1-2H3,(H,14,15);1H
InChIKeyJLKOWPHAKIKTRD-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 120560978
N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119498678
N-(3-aminobutyl)-4-methylsulfonylbenzamide;hydrochloride
CID 119499324
N-(3-aminobutyl)-4-methylsulfanylbenzamide
CID 54425720
1-N-(3-aminobutyl)-4-N-(2,2-dimethylpropyl)benzene-1,4-dicarboxamide
CID 119498465
N-(3-aminobutyl)-2,4-dimethylbenzamide
CID 63254051
N-(3,3-diphenylpropyl)-4-methylbenzamide
CID 1312769
N-(3-aminobutyl)-3-bromo-4-methylbenzamide
CID 81476590
N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119498659
3-N-(3-aminobutyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119498174
3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
CID 119495246
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride
CID 119299589

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-methylbenzamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-4-methylbenzamide;hydrochloride (CID 119497304) is N-(3-aminobutyl)-4-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-4-methylbenzamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-4-methylbenzamide;hydrochloride is Cc1ccc(C(=O)NCCC(C)N)cc1.Cl.
What is the InChIKey of N-(3-aminobutyl)-4-methylbenzamide;hydrochloride?
The InChIKey is JLKOWPHAKIKTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-9-3-5-11(6-4-9)12(15)14-8-7-10(2)13;/h3-6,10H,7-8,13H2,1-2H3,(H,14,15);1H.
What are the key properties of N-(3-aminobutyl)-4-methylbenzamide;hydrochloride?
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 119497304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).