2-[4-(methylamino)butanoylamino]benzamide;hydrochloride

C12H18ClN3O2 — CID 119673012

IUPAC2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccccc1C(N)=O.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-14-8-4-7-11(16)15-10-6-3-2-5-9(10)12(13)17;/h2-3,5-6,14H,4,7-8H2,1H3,(H2,13,17)(H,15,16);1H
InChIKeyWIKUHGUPPHEMMH-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.15
Rot. Bonds6

About 2-[4-(methylamino)butanoylamino]benzamide;hydrochloride

2-[4-(methylamino)butanoylamino]benzamide;hydrochloride (PubChem CID 119673012) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-[4-(methylamino)butanoylamino]benzamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
PubChem CID119673012
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccccc1C(N)=O.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-14-8-4-7-11(16)15-10-6-3-2-5-9(10)12(13)17;/h2-3,5-6,14H,4,7-8H2,1H3,(H2,13,17)(H,15,16);1H
InChIKeyWIKUHGUPPHEMMH-UHFFFAOYSA-N
XLogP1.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
2-(3-aminopropanoylamino)benzamide
CID 22692052
N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide
CID 60843100
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(methylamino)butanamide;hydrochloride
CID 119773448
N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119733604
2-(4-aminopentanoylamino)benzamide;hydrochloride
CID 120558709
2-(7-chloroheptanoylamino)benzamide
CID 139930503
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(methylamino)butanamide
CID 54925110
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119717948
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
methyl 2-methyl-3-[4-(methylamino)butanoylamino]benzoate
CID 54924912

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)butanoylamino]benzamide;hydrochloride?
The IUPAC name of 2-[4-(methylamino)butanoylamino]benzamide;hydrochloride (CID 119673012) is 2-[4-(methylamino)butanoylamino]benzamide;hydrochloride.
What is the SMILES notation for 2-[4-(methylamino)butanoylamino]benzamide;hydrochloride?
The canonical SMILES for 2-[4-(methylamino)butanoylamino]benzamide;hydrochloride is CNCCCC(=O)Nc1ccccc1C(N)=O.Cl.
What is the InChIKey of 2-[4-(methylamino)butanoylamino]benzamide;hydrochloride?
The InChIKey is WIKUHGUPPHEMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.ClH/c1-14-8-4-7-11(16)15-10-6-3-2-5-9(10)12(13)17;/h2-3,5-6,14H,4,7-8H2,1H3,(H2,13,17)(H,15,16);1H.
What are the key properties of 2-[4-(methylamino)butanoylamino]benzamide;hydrochloride?
2-[4-(methylamino)butanoylamino]benzamide;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)butanoylamino]benzamide;hydrochloride is sourced from PubChem (CID 119673012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).