3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide

C15H24N2O2 — CID 104827234

IUPAC3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide
SMILESCC(NC(=O)CCOc1ccccc1N)C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-11(15(2,3)4)17-14(18)9-10-19-13-8-6-5-7-12(13)16/h5-8,11H,9-10,16H2,1-4H3,(H,17,18)
InChIKeyMUYWKZRQJTZEFK-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.59
Rot. Bonds5

About 3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide

3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide (PubChem CID 104827234) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide
PubChem CID104827234
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide
SMILESCC(NC(=O)CCOc1ccccc1N)C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-11(15(2,3)4)17-14(18)9-10-19-13-8-6-5-7-12(13)16/h5-8,11H,9-10,16H2,1-4H3,(H,17,18)
InChIKeyMUYWKZRQJTZEFK-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-aminophenoxy)ethyl]-3,4,4-trimethylpentanamide
CID 63832503
3-[3-(2-aminophenoxy)propanoylamino]-N,2,2-trimethylpropanamide
CID 106274654
3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62524628
(2R)-2-[3-(2-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid
CID 92923984
[2-(butan-2-ylamino)-2-oxoethyl] 3-(2-aminophenoxy)propanoate
CID 61314279
N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide
CID 61091283
methyl 3-[3-(2-aminophenoxy)propanoylamino]propanoate
CID 61104247
2-[3-(2-chlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 43353996
3-(2-aminophenoxy)propanamide
CID 39869131
methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate
CID 60638161
3-(2-aminophenoxy)-N-pentylpropanamide
CID 61090081
2-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide
CID 61106876

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide?
The IUPAC name of 3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide (CID 104827234) is 3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide?
The canonical SMILES for 3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide is CC(NC(=O)CCOc1ccccc1N)C(C)(C)C.
What is the InChIKey of 3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide?
The InChIKey is MUYWKZRQJTZEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(15(2,3)4)17-14(18)9-10-19-13-8-6-5-7-12(13)16/h5-8,11H,9-10,16H2,1-4H3,(H,17,18).
What are the key properties of 3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide?
3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide is sourced from PubChem (CID 104827234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).