2-(4-ethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide

C17H25NO3 — CID 6469922

IUPAC2-(4-ethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide
SMILESCCc1ccc(OC(C)C(=O)NC(C)C2CCCO2)cc1
InChIInChI=1S/C17H25NO3/c1-4-14-7-9-15(10-8-14)21-13(3)17(19)18-12(2)16-6-5-11-20-16/h7-10,12-13,16H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyYWWBFOSDPKMADR-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.70
Rot. Bonds6

About 2-(4-ethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide

2-(4-ethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide (PubChem CID 6469922) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide
PubChem CID6469922
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(4-ethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide
SMILESCCc1ccc(OC(C)C(=O)NC(C)C2CCCO2)cc1
InChIInChI=1S/C17H25NO3/c1-4-14-7-9-15(10-8-14)21-13(3)17(19)18-12(2)16-6-5-11-20-16/h7-10,12-13,16H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyYWWBFOSDPKMADR-UHFFFAOYSA-N
XLogP2.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenoxy)-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 27233661
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 27232484
(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
CID 42563008
N-cyclopropyl-2-(4-ethylphenoxy)propanamide
CID 60625156
(2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 27233264
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 104904745
4-ethoxy-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide
CID 43067377
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877
(2R)-2-amino-N-[1-(oxolan-2-yl)ethyl]-3-phenylpropanamide
CID 78985428

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide (CID 6469922) is 2-(4-ethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide is CCc1ccc(OC(C)C(=O)NC(C)C2CCCO2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide?
The InChIKey is YWWBFOSDPKMADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-14-7-9-15(10-8-14)21-13(3)17(19)18-12(2)16-6-5-11-20-16/h7-10,12-13,16H,4-6,11H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-ethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide?
2-(4-ethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide has a molecular weight of 291.39 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 2-(4-ethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide is sourced from PubChem (CID 6469922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).