2-(2,3-dimethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide

C17H25NO3 — CID 6467878

IUPAC2-(2,3-dimethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide
SMILESCc1cccc(OC(C)C(=O)NC(C)C2CCCO2)c1C
InChIInChI=1S/C17H25NO3/c1-11-7-5-8-15(12(11)2)21-14(4)17(19)18-13(3)16-9-6-10-20-16/h5,7-8,13-14,16H,6,9-10H2,1-4H3,(H,18,19)
InChIKeyGDAOUVTUPDVXKY-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.75
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide

2-(2,3-dimethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide (PubChem CID 6467878) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide
PubChem CID6467878
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(2,3-dimethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide
SMILESCc1cccc(OC(C)C(=O)NC(C)C2CCCO2)c1C
InChIInChI=1S/C17H25NO3/c1-11-7-5-8-15(12(11)2)21-14(4)17(19)18-13(3)16-9-6-10-20-16/h5,7-8,13-14,16H,6,9-10H2,1-4H3,(H,18,19)
InChIKeyGDAOUVTUPDVXKY-UHFFFAOYSA-N
XLogP2.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 44389812
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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide (CID 6467878) is 2-(2,3-dimethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide is Cc1cccc(OC(C)C(=O)NC(C)C2CCCO2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide?
The InChIKey is GDAOUVTUPDVXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11-7-5-8-15(12(11)2)21-14(4)17(19)18-13(3)16-9-6-10-20-16/h5,7-8,13-14,16H,6,9-10H2,1-4H3,(H,18,19).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide?
2-(2,3-dimethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide is sourced from PubChem (CID 6467878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).