4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride

C12H19ClN2O — CID 119670453

IUPAC4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccccc1C.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-10-6-3-4-7-11(10)14-12(15)8-5-9-13-2;/h3-4,6-7,13H,5,8-9H2,1-2H3,(H,14,15);1H
InChIKeyWCDUNLAQGNKEEU-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.35
Rot. Bonds5

About 4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride

4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride (PubChem CID 119670453) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
PubChem CID119670453
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccccc1C.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-10-6-3-4-7-11(10)14-12(15)8-5-9-13-2;/h3-4,6-7,13H,5,8-9H2,1-2H3,(H,14,15);1H
InChIKeyWCDUNLAQGNKEEU-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.35
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-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119673012
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide
CID 32688592
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530
N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide
CID 119747442
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
11-bromo-N-(2-methylphenyl)undecanamide
CID 51058287
4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119714850
4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119715797
N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide
CID 54924337

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride (CID 119670453) is 4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride is CNCCCC(=O)Nc1ccccc1C.Cl.
What is the InChIKey of 4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride?
The InChIKey is WCDUNLAQGNKEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-10-6-3-4-7-11(10)14-12(15)8-5-9-13-2;/h3-4,6-7,13H,5,8-9H2,1-2H3,(H,14,15);1H.
What are the key properties of 4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride?
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119670453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).