N-(4-amino-2-methylphenyl)-2-(2-butan-2-ylphenoxy)propanamide

C20H26N2O2 — CID 46735872

IUPACN-(4-amino-2-methylphenyl)-2-(2-butan-2-ylphenoxy)propanamide
SMILESCCC(C)c1ccccc1OC(C)C(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C20H26N2O2/c1-5-13(2)17-8-6-7-9-19(17)24-15(4)20(23)22-18-11-10-16(21)12-14(18)3/h6-13,15H,5,21H2,1-4H3,(H,22,23)
InChIKeyCPVBPROXDWRAPQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.50
Rot. Bonds6

About N-(4-amino-2-methylphenyl)-2-(2-butan-2-ylphenoxy)propanamide

N-(4-amino-2-methylphenyl)-2-(2-butan-2-ylphenoxy)propanamide (PubChem CID 46735872) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(2-butan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(2-butan-2-ylphenoxy)propanamide
PubChem CID46735872
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(4-amino-2-methylphenyl)-2-(2-butan-2-ylphenoxy)propanamide
SMILESCCC(C)c1ccccc1OC(C)C(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C20H26N2O2/c1-5-13(2)17-8-6-7-9-19(17)24-15(4)20(23)22-18-11-10-16(21)12-14(18)3/h6-13,15H,5,21H2,1-4H3,(H,22,23)
InChIKeyCPVBPROXDWRAPQ-UHFFFAOYSA-N
XLogP4.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.50
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

2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 17129881
N-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 16790293
2-(2-butan-2-ylphenoxy)-N-[4-[4-[2-(2-butan-2-ylphenoxy)butanoylamino]-3-methylphenyl]-2-methylphenyl]butanamide
CID 23013474
2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 46760646
N-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 16786831
N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 16786087
N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide
CID 46735880
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 54781417
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide
CID 40736855
N-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 17204655
ethyl 3-chloro-4-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 99957135

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(2-butan-2-ylphenoxy)propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(2-butan-2-ylphenoxy)propanamide (CID 46735872) is N-(4-amino-2-methylphenyl)-2-(2-butan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(2-butan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(2-butan-2-ylphenoxy)propanamide is CCC(C)c1ccccc1OC(C)C(=O)Nc1ccc(N)cc1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(2-butan-2-ylphenoxy)propanamide?
The InChIKey is CPVBPROXDWRAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-5-13(2)17-8-6-7-9-19(17)24-15(4)20(23)22-18-11-10-16(21)12-14(18)3/h6-13,15H,5,21H2,1-4H3,(H,22,23).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(2-butan-2-ylphenoxy)propanamide?
N-(4-amino-2-methylphenyl)-2-(2-butan-2-ylphenoxy)propanamide has a molecular weight of 326.44 g/mol, XLogP of 4.50, 6 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-butan-2-ylphenoxy)propanamide is sourced from PubChem (CID 46735872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).