N-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide

C18H22N2O2 — CID 16786831

IUPACN-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)Oc1c(C)cccc1C
InChIInChI=1S/C18H22N2O2/c1-11-6-5-7-12(2)17(11)22-14(4)18(21)20-16-9-8-15(19)10-13(16)3/h5-10,14H,19H2,1-4H3,(H,20,21)
InChIKeyIYGNPZPXJDTRPF-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.60
Rot. Bonds4

About N-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide

N-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide (PubChem CID 16786831) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
PubChem CID16786831
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)Oc1c(C)cccc1C
InChIInChI=1S/C18H22N2O2/c1-11-6-5-7-12(2)17(11)22-14(4)18(21)20-16-9-8-15(19)10-13(16)3/h5-10,14H,19H2,1-4H3,(H,20,21)
InChIKeyIYGNPZPXJDTRPF-UHFFFAOYSA-N
XLogP3.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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'}

Analyze N-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 16790293
N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 16786087
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
N-(4-amino-2-methylphenyl)-2-(2-butan-2-ylphenoxy)propanamide
CID 46735872
(2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297165
N-(4-amino-2-methylphenyl)-2-heptoxypropanamide
CID 43127072
N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
(2S)-N-(3,5-dichlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297257
N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 43081960
(2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 889131
(2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297447
2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 4958482

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide (CID 16786831) is N-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide is Cc1cc(N)ccc1NC(=O)C(C)Oc1c(C)cccc1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide?
The InChIKey is IYGNPZPXJDTRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-11-6-5-7-12(2)17(11)22-14(4)18(21)20-16-9-8-15(19)10-13(16)3/h5-10,14H,19H2,1-4H3,(H,20,21).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide?
N-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide is sourced from PubChem (CID 16786831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).