N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide

C17H20N2O2 — CID 16781926

IUPACN-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccccc2N)c(C)c1
InChIInChI=1S/C17H20N2O2/c1-11-8-9-16(12(2)10-11)21-13(3)17(20)19-15-7-5-4-6-14(15)18/h4-10,13H,18H2,1-3H3,(H,19,20)
InChIKeyCLFOWNRAVVWYFC-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.29
Rot. Bonds4

About N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide

N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide (PubChem CID 16781926) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide
PubChem CID16781926
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccccc2N)c(C)c1
InChIInChI=1S/C17H20N2O2/c1-11-8-9-16(12(2)10-11)21-13(3)17(20)19-15-7-5-4-6-14(15)18/h4-10,13H,18H2,1-3H3,(H,19,20)
InChIKeyCLFOWNRAVVWYFC-UHFFFAOYSA-N
XLogP3.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.29
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

(2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 837584
3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide
CID 95706566
2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084
(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837680
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837681
(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 9172968
(2S)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837580
(2R)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837579
N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
CID 9173023
2-(2,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 6916117
N-(2-aminophenyl)-2-(2,5-difluorophenoxy)propanamide
CID 63269106
2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 9172865

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide?
The IUPAC name of N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide (CID 16781926) is N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide?
The canonical SMILES for N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)Nc2ccccc2N)c(C)c1.
What is the InChIKey of N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide?
The InChIKey is CLFOWNRAVVWYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-8-9-16(12(2)10-11)21-13(3)17(20)19-15-7-5-4-6-14(15)18/h4-10,13H,18H2,1-3H3,(H,19,20).
What are the key properties of N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide?
N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide has a molecular weight of 284.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 16781926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).