3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide

C14H20N2O2 — CID 113498542

IUPAC3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CN(C)C(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C14H20N2O2/c1-11(2)10-16(3)14(17)8-9-18-13-6-4-12(15)5-7-13/h4-7H,1,8-10,15H2,2-3H3
InChIKeyMEULFLLHNYPIMP-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.07
Rot. Bonds6

About 3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide

3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide (PubChem CID 113498542) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide
PubChem CID113498542
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CN(C)C(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C14H20N2O2/c1-11(2)10-16(3)14(17)8-9-18-13-6-4-12(15)5-7-13/h4-7H,1,8-10,15H2,2-3H3
InChIKeyMEULFLLHNYPIMP-UHFFFAOYSA-N
XLogP2.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.07
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61127921
3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide
CID 63694079
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874
3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide
CID 61117568
3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide
CID 61093094
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 61093832
2-[methyl-[3-(4-methylphenoxy)propanoyl]amino]acetic acid
CID 43239733
3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 61118042
3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide
CID 61090557
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 55317010
3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 61115959

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide (CID 113498542) is 3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide is C=C(C)CN(C)C(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide?
The InChIKey is MEULFLLHNYPIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(2)10-16(3)14(17)8-9-18-13-6-4-12(15)5-7-13/h4-7H,1,8-10,15H2,2-3H3.
What are the key properties of 3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide?
3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide has a molecular weight of 248.33 g/mol, XLogP of 2.07, 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-(2-methylprop-2-enyl)propanamide is sourced from PubChem (CID 113498542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).