3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide

C15H24N2O2 — CID 103459992

IUPAC3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide
SMILESCCC(C)(C)CNC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C15H24N2O2/c1-4-15(2,3)11-17-14(18)9-10-19-13-7-5-12(16)6-8-13/h5-8H,4,9-11,16H2,1-3H3,(H,17,18)
InChIKeySNFSNPFTZXUZBS-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.59
Rot. Bonds7

About 3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide

3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide (PubChem CID 103459992) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide
PubChem CID103459992
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide
SMILESCCC(C)(C)CNC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C15H24N2O2/c1-4-15(2,3)11-17-14(18)9-10-19-13-7-5-12(16)6-8-13/h5-8H,4,9-11,16H2,1-3H3,(H,17,18)
InChIKeySNFSNPFTZXUZBS-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65103759
3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106139288
N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide
CID 106139517
3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide
CID 113491836
[3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate
CID 62326119
3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
CID 61090650
3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103825257
3-(4-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102913
3-(4-aminophenoxy)-N-(3-hydroxybutyl)propanamide
CID 64929581
3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
CID 104758179
methyl 3-[3-(4-aminophenoxy)propanoylamino]-2-hydroxypropanoate
CID 107211638
3-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 60630698

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide (CID 103459992) is 3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide is CCC(C)(C)CNC(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide?
The InChIKey is SNFSNPFTZXUZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-15(2,3)11-17-14(18)9-10-19-13-7-5-12(16)6-8-13/h5-8H,4,9-11,16H2,1-3H3,(H,17,18).
What are the key properties of 3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide?
3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide is sourced from PubChem (CID 103459992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).