3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide

C17H20N2O2 — CID 61089874

IUPAC3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C17H20N2O2/c1-19(13-14-5-3-2-4-6-14)17(20)11-12-21-16-9-7-15(18)8-10-16/h2-10H,11-13,18H2,1H3
InChIKeyZMEQLWCEFOEVHZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.70
Rot. Bonds6

About 3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide

3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide (PubChem CID 61089874) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
PubChem CID61089874
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C17H20N2O2/c1-19(13-14-5-3-2-4-6-14)17(20)11-12-21-16-9-7-15(18)8-10-16/h2-10H,11-13,18H2,1H3
InChIKeyZMEQLWCEFOEVHZ-UHFFFAOYSA-N
XLogP2.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.70
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-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 61093832
N-methyl-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 110724771
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide
CID 62589156
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2381043
N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791829
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61127921
3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide
CID 113498542
3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide
CID 63694079
N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 78770382
N-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54821466

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide (CID 61089874) is 3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide?
The InChIKey is ZMEQLWCEFOEVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-19(13-14-5-3-2-4-6-14)17(20)11-12-21-16-9-7-15(18)8-10-16/h2-10H,11-13,18H2,1H3.
What are the key properties of 3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide?
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 2.70, 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-benzyl-N-methylpropanamide is sourced from PubChem (CID 61089874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).