3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide

C15H22N2O3 — CID 9163163

IUPAC3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CNC(=O)CCOc1ccc(C)cc1
InChIInChI=1S/C15H22N2O3/c1-3-9-16-15(19)11-17-14(18)8-10-20-13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyQKWFIBNPHNEMPI-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.41
Rot. Bonds8

About 3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide

3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide (PubChem CID 9163163) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
PubChem CID9163163
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CNC(=O)CCOc1ccc(C)cc1
InChIInChI=1S/C15H22N2O3/c1-3-9-16-15(19)11-17-14(18)8-10-20-13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyQKWFIBNPHNEMPI-UHFFFAOYSA-N
XLogP1.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid
CID 43387562
N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide
CID 9295558
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61093079
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide
CID 115612574
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate
CID 9139525
2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 43021745
3-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568541
4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137
N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide
CID 103877644
2-[[2-(4-phenylphenoxy)acetyl]amino]-N-propylacetamide
CID 9163146

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The IUPAC name of 3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide (CID 9163163) is 3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide.
What is the SMILES notation for 3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The canonical SMILES for 3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide is CCCNC(=O)CNC(=O)CCOc1ccc(C)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The InChIKey is QKWFIBNPHNEMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-9-16-15(19)11-17-14(18)8-10-20-13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide?
3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide is sourced from PubChem (CID 9163163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).