2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide

C15H22N2O3 — CID 119505122

IUPAC2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
SMILESCCNCCNC(=O)C(C)Oc1cccc(C(C)=O)c1
InChIInChI=1S/C15H22N2O3/c1-4-16-8-9-17-15(19)12(3)20-14-7-5-6-13(10-14)11(2)18/h5-7,10,12,16H,4,8-9H2,1-3H3,(H,17,19)
InChIKeyNNKWTXJUMWYONR-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.38
Rot. Bonds8

About 2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide

2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide (PubChem CID 119505122) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
PubChem CID119505122
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
SMILESCCNCCNC(=O)C(C)Oc1cccc(C(C)=O)c1
InChIInChI=1S/C15H22N2O3/c1-4-16-8-9-17-15(19)12(3)20-14-7-5-6-13(10-14)11(2)18/h5-7,10,12,16H,4,8-9H2,1-3H3,(H,17,19)
InChIKeyNNKWTXJUMWYONR-UHFFFAOYSA-N
XLogP1.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide
CID 119504615
2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride
CID 119382393
2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506597
2-(3-acetylphenoxy)-N-(2-phenylpropyl)propanamide
CID 51141698
2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 43112351
2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 51235146
N-[2-(ethylamino)ethyl]-2-(4-phenylphenoxy)propanamide
CID 119509338
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119505468
(2S)-2-(3-acetylphenoxy)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 52784598
2-(3-acetylphenoxy)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 71685051
methyl 2-(3-acetylphenoxy)propanoate
CID 60643105
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide (CID 119505122) is 2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide is CCNCCNC(=O)C(C)Oc1cccc(C(C)=O)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide?
The InChIKey is NNKWTXJUMWYONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-16-8-9-17-15(19)12(3)20-14-7-5-6-13(10-14)11(2)18/h5-7,10,12,16H,4,8-9H2,1-3H3,(H,17,19).
What are the key properties of 2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide?
2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide is sourced from PubChem (CID 119505122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).