3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide

C15H24N2O2 — CID 61109535

IUPAC3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCN(C)C(=O)CCOc1ccccc1N
InChIInChI=1S/C15H24N2O2/c1-12(2)8-10-17(3)15(18)9-11-19-14-7-5-4-6-13(14)16/h4-7,12H,8-11,16H2,1-3H3
InChIKeyHLMDOASQNQHYSX-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.54
Rot. Bonds7

About 3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide

3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide (PubChem CID 61109535) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide
PubChem CID61109535
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCN(C)C(=O)CCOc1ccccc1N
InChIInChI=1S/C15H24N2O2/c1-12(2)8-10-17(3)15(18)9-11-19-14-7-5-4-6-13(14)16/h4-7,12H,8-11,16H2,1-3H3
InChIKeyHLMDOASQNQHYSX-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline
CID 61425855
2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline
CID 107869353
3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
CID 113425868
N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide
CID 61093679
2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63693890
3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61093438
3-(2-aminophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61107702
N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride
CID 119661185
3-(2-aminophenoxy)propanamide
CID 39869131
3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide
CID 61116679
[1-(dimethylamino)-1-oxopropan-2-yl] 3-(2-aminophenoxy)propanoate
CID 61316741
N-(3-aminopropyl)-3-(2-ethylphenoxy)-N-methylpropanamide
CID 43254471

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide (CID 61109535) is 3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide is CC(C)CCN(C)C(=O)CCOc1ccccc1N.
What is the InChIKey of 3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide?
The InChIKey is HLMDOASQNQHYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)8-10-17(3)15(18)9-11-19-14-7-5-4-6-13(14)16/h4-7,12H,8-11,16H2,1-3H3.
What are the key properties of 3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide?
3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 61109535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).