2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide

C16H26N2O3 — CID 43279460

IUPAC2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(C(C)NCC)cc1OC
InChIInChI=1S/C16H26N2O3/c1-5-9-18-16(19)11-21-14-8-7-13(10-15(14)20-4)12(3)17-6-2/h7-8,10,12,17H,5-6,9,11H2,1-4H3,(H,18,19)
InChIKeyQMNHMIXOABQLAM-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.27
Rot. Bonds9

About 2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide

2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide (PubChem CID 43279460) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide
PubChem CID43279460
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(C(C)NCC)cc1OC
InChIInChI=1S/C16H26N2O3/c1-5-9-18-16(19)11-21-14-8-7-13(10-15(14)20-4)12(3)17-6-2/h7-8,10,12,17H,5-6,9,11H2,1-4H3,(H,18,19)
InChIKeyQMNHMIXOABQLAM-UHFFFAOYSA-N
XLogP2.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N,N-dimethylacetamide
CID 43279473
2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 30120639
1-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60882670
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 78931398
2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 60728745
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide
CID 61486644
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine
CID 43279483
N-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine
CID 43279451
2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 63366894
N-(2-cyanoethyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43503845
1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol
CID 60883043
N-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine
CID 43279496

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide?
The IUPAC name of 2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide (CID 43279460) is 2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide?
The canonical SMILES for 2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide is CCCNC(=O)COc1ccc(C(C)NCC)cc1OC.
What is the InChIKey of 2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide?
The InChIKey is QMNHMIXOABQLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-9-18-16(19)11-21-14-8-7-13(10-15(14)20-4)12(3)17-6-2/h7-8,10,12,17H,5-6,9,11H2,1-4H3,(H,18,19).
What are the key properties of 2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide?
2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide has a molecular weight of 294.39 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide is sourced from PubChem (CID 43279460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).