N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide

C18H22N2O2 — CID 16783456

IUPACN-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide
SMILESCc1cccc(C)c1OCCC(=O)Nc1cccc(N)c1C
InChIInChI=1S/C18H22N2O2/c1-12-6-4-7-13(2)18(12)22-11-10-17(21)20-16-9-5-8-15(19)14(16)3/h4-9H,10-11,19H2,1-3H3,(H,20,21)
InChIKeyJNKDIRNNMCSBDI-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.60
Rot. Bonds5

About N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide

N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide (PubChem CID 16783456) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide
PubChem CID16783456
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide
SMILESCc1cccc(C)c1OCCC(=O)Nc1cccc(N)c1C
InChIInChI=1S/C18H22N2O2/c1-12-6-4-7-13(2)18(12)22-11-10-17(21)20-16-9-5-8-15(19)14(16)3/h4-9H,10-11,19H2,1-3H3,(H,20,21)
InChIKeyJNKDIRNNMCSBDI-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
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-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995274
N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide
CID 16792974
N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide
CID 16786452
N-(3-amino-2-methylphenyl)-4-propoxybutanamide
CID 43247848
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide
CID 16784272
N-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide
CID 28995516
N-(3-amino-2-methylphenyl)-4-phenylbutanamide
CID 28939602
N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide
CID 119421764
N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide
CID 16791407
N-(3-amino-2-methylphenyl)-3-tert-butylsulfinylpropanamide
CID 61304225
N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
CID 119421763

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide (CID 16783456) is N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide is Cc1cccc(C)c1OCCC(=O)Nc1cccc(N)c1C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide?
The InChIKey is JNKDIRNNMCSBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-6-4-7-13(2)18(12)22-11-10-17(21)20-16-9-5-8-15(19)14(16)3/h4-9H,10-11,19H2,1-3H3,(H,20,21).
What are the key properties of N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide?
N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide is sourced from PubChem (CID 16783456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).