N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride

C18H23ClN2O2 — CID 119422856

IUPACN-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride
SMILESCc1ccc(OCCCC(=O)Nc2ccccc2N)cc1C.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-13-9-10-15(12-14(13)2)22-11-5-8-18(21)20-17-7-4-3-6-16(17)19;/h3-4,6-7,9-10,12H,5,8,11,19H2,1-2H3,(H,20,21);1H
InChIKeyMNRBTWHERCUTSY-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.11
Rot. Bonds6

About N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride

N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride (PubChem CID 119422856) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride
PubChem CID119422856
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride
SMILESCc1ccc(OCCCC(=O)Nc2ccccc2N)cc1C.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-13-9-10-15(12-14(13)2)22-11-5-8-18(21)20-17-7-4-3-6-16(17)19;/h3-4,6-7,9-10,12H,5,8,11,19H2,1-2H3,(H,20,21);1H
InChIKeyMNRBTWHERCUTSY-UHFFFAOYSA-N
XLogP4.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.11
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

N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide
CID 43327303
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride
CID 120568118
3-(3,4-dimethylphenoxy)-N-(2-ethylphenyl)propanamide
CID 39992819
4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 84553818
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide
CID 120609491
4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide
CID 119422412
4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
CID 4797069
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride?
The IUPAC name of N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride (CID 119422856) is N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride?
The canonical SMILES for N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride is Cc1ccc(OCCCC(=O)Nc2ccccc2N)cc1C.Cl.
What is the InChIKey of N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride?
The InChIKey is MNRBTWHERCUTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-13-9-10-15(12-14(13)2)22-11-5-8-18(21)20-17-7-4-3-6-16(17)19;/h3-4,6-7,9-10,12H,5,8,11,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride?
N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride is sourced from PubChem (CID 119422856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).