N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide

C18H22N2O2 — CID 84816880

IUPACN-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCOc2ccc(N)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-14-2-4-15(5-3-14)6-11-18(21)20-12-13-22-17-9-7-16(19)8-10-17/h2-5,7-10H,6,11-13,19H2,1H3,(H,20,21)
InChIKeySMWDDEOVVGJKFC-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.71
Rot. Bonds7

About N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide

N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide (PubChem CID 84816880) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
PubChem CID84816880
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCOc2ccc(N)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-14-2-4-15(5-3-14)6-11-18(21)20-12-13-22-17-9-7-16(19)8-10-17/h2-5,7-10H,6,11-13,19H2,1H3,(H,20,21)
InChIKeySMWDDEOVVGJKFC-UHFFFAOYSA-N
XLogP2.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 5227207
3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide
CID 10803968
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
4-[3-[3-(4-methylphenoxy)propylamino]-3-oxopropyl]benzoic acid
CID 119182918
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327
N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide
CID 119548986
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 18121428
3-(1,3-benzodioxol-5-yl)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 18121430
4-[2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22682762
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide (CID 84816880) is N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCCOc2ccc(N)cc2)cc1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is SMWDDEOVVGJKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-2-4-15(5-3-14)6-11-18(21)20-12-13-22-17-9-7-16(19)8-10-17/h2-5,7-10H,6,11-13,19H2,1H3,(H,20,21).
What are the key properties of N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide?
N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 84816880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).