N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide

C18H22N2O2 — CID 120568050

IUPACN-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide
SMILESCOc1cccc(C(C)CC(=O)Nc2cc(N)ccc2C)c1
InChIInChI=1S/C18H22N2O2/c1-12-7-8-15(19)11-17(12)20-18(21)9-13(2)14-5-4-6-16(10-14)22-3/h4-8,10-11,13H,9,19H2,1-3H3,(H,20,21)
InChIKeyIBJFEKCLCWVQOP-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.72
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide

N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide (PubChem CID 120568050) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide
PubChem CID120568050
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide
SMILESCOc1cccc(C(C)CC(=O)Nc2cc(N)ccc2C)c1
InChIInChI=1S/C18H22N2O2/c1-12-7-8-15(19)11-17(12)20-18(21)9-13(2)14-5-4-6-16(10-14)22-3/h4-8,10-11,13H,9,19H2,1-3H3,(H,20,21)
InChIKeyIBJFEKCLCWVQOP-UHFFFAOYSA-N
XLogP3.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.72
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)-2-(3-methoxyphenyl)sulfanylacetamide
CID 29031142
N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 16782919
N-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride
CID 119440333
3-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)butanamide
CID 104502253
3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide
CID 104502076
N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide
CID 119508296
(3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709525
N-(5-amino-2-methylphenyl)-2-phenoxyacetamide
CID 16794397
N-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide
CID 109479061
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide
CID 104502050
N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392
N-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride
CID 120568459

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide (CID 120568050) is N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide is COc1cccc(C(C)CC(=O)Nc2cc(N)ccc2C)c1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide?
The InChIKey is IBJFEKCLCWVQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-7-8-15(19)11-17(12)20-18(21)9-13(2)14-5-4-6-16(10-14)22-3/h4-8,10-11,13H,9,19H2,1-3H3,(H,20,21).
What are the key properties of N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide?
N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide has a molecular weight of 298.39 g/mol, XLogP of 3.72, 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-methoxyphenyl)butanamide is sourced from PubChem (CID 120568050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).