N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride

C11H17ClN2O2 — CID 119422032

IUPACN-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
SMILESCOCCCC(=O)Nc1ccccc1N.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-15-8-4-7-11(14)13-10-6-3-2-5-9(10)12;/h2-3,5-6H,4,7-8,12H2,1H3,(H,13,14);1H
InChIKeyUGSQVSJJBBYMSZ-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.06
Rot. Bonds5

About N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride

N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride (PubChem CID 119422032) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
PubChem CID119422032
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC NameN-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
SMILESCOCCCC(=O)Nc1ccccc1N.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-15-8-4-7-11(14)13-10-6-3-2-5-9(10)12;/h2-3,5-6H,4,7-8,12H2,1H3,(H,13,14);1H
InChIKeyUGSQVSJJBBYMSZ-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 119422437
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
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CID 119422835
N-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide
CID 149460291
N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride
CID 119422856
N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
CID 16785231
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119422035
N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide
CID 43327303
4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide
CID 119422412
N-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide
CID 82955375
N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide
CID 43627652

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride?
The IUPAC name of N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride (CID 119422032) is N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride?
The canonical SMILES for N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride is COCCCC(=O)Nc1ccccc1N.Cl.
What is the InChIKey of N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride?
The InChIKey is UGSQVSJJBBYMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.ClH/c1-15-8-4-7-11(14)13-10-6-3-2-5-9(10)12;/h2-3,5-6H,4,7-8,12H2,1H3,(H,13,14);1H.
What are the key properties of N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride?
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride has a molecular weight of 244.72 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride is sourced from PubChem (CID 119422032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).