N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride

C18H23ClN2O2 — CID 120568118

IUPACN-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride
SMILESCc1ccc(OCCC(=O)Nc2cc(N)ccc2C)cc1C.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-12-5-7-16(10-14(12)3)22-9-8-18(21)20-17-11-15(19)6-4-13(17)2;/h4-7,10-11H,8-9,19H2,1-3H3,(H,20,21);1H
InChIKeyXRCIVKWKBGSUNA-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.02
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride

N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride (PubChem CID 120568118) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride
PubChem CID120568118
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride
SMILESCc1ccc(OCCC(=O)Nc2cc(N)ccc2C)cc1C.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-12-5-7-16(10-14(12)3)22-9-8-18(21)20-17-11-15(19)6-4-13(17)2;/h4-7,10-11H,8-9,19H2,1-3H3,(H,20,21);1H
InChIKeyXRCIVKWKBGSUNA-UHFFFAOYSA-N
XLogP4.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120568903
N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide
CID 28516547
N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 120568425
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 120568294
N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride
CID 119422856
3-(3,4-dimethylphenoxy)-N-(2-ethylphenyl)propanamide
CID 39992819
N-(5-amino-2-methylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 120568933
N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
CID 120569223
N-(5-amino-2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 120568802
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide
CID 55572968
N-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide
CID 18069922
N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride (CID 120568118) is N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride is Cc1ccc(OCCC(=O)Nc2cc(N)ccc2C)cc1C.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride?
The InChIKey is XRCIVKWKBGSUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-12-5-7-16(10-14(12)3)22-9-8-18(21)20-17-11-15(19)6-4-13(17)2;/h4-7,10-11H,8-9,19H2,1-3H3,(H,20,21);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride?
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 120568118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).