3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide

C15H24N2O2 — CID 61093094

IUPAC3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide
SMILESCC(C)C(C)N(C)C(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C15H24N2O2/c1-11(2)12(3)17(4)15(18)9-10-19-14-7-5-13(16)6-8-14/h5-8,11-12H,9-10,16H2,1-4H3
InChIKeyUXGYEZHLPXPGQC-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.54
Rot. Bonds6

About 3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide

3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide (PubChem CID 61093094) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide
PubChem CID61093094
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide
SMILESCC(C)C(C)N(C)C(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C15H24N2O2/c1-11(2)12(3)17(4)15(18)9-10-19-14-7-5-13(16)6-8-14/h5-8,11-12H,9-10,16H2,1-4H3
InChIKeyUXGYEZHLPXPGQC-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61127921
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119582078
N-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide
CID 116820440
3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide
CID 113498542
3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide
CID 63694079
2-[methyl-[3-(4-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119208995
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874
N-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide
CID 112548211
3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide
CID 61117568
3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide
CID 61090557
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide
CID 86920290

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide (CID 61093094) is 3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide is CC(C)C(C)N(C)C(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide?
The InChIKey is UXGYEZHLPXPGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)12(3)17(4)15(18)9-10-19-14-7-5-13(16)6-8-14/h5-8,11-12H,9-10,16H2,1-4H3.
What are the key properties of 3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide?
3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide is sourced from PubChem (CID 61093094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).