3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide

C15H23NO2 — CID 60731406

IUPAC3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCOc1cc(C)cc(C)c1
InChIInChI=1S/C15H23NO2/c1-5-16(6-2)15(17)7-8-18-14-10-12(3)9-13(4)11-14/h9-11H,5-8H2,1-4H3
InChIKeyXMVWQPNYPHWASF-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.94
Rot. Bonds6

About 3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide

3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide (PubChem CID 60731406) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
PubChem CID60731406
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCOc1cc(C)cc(C)c1
InChIInChI=1S/C15H23NO2/c1-5-16(6-2)15(17)7-8-18-14-10-12(3)9-13(4)11-14/h9-11H,5-8H2,1-4H3
InChIKeyXMVWQPNYPHWASF-UHFFFAOYSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethylphenoxy)-N,N-di(propan-2-yl)propanamide
CID 56530010
2-[3-(3,5-dimethylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 62818293
ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate
CID 61022394
1,3-dimethyl-5-(3-methylbut-3-enoxy)benzene
CID 114477410
ethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate
CID 60676948
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782
3-(3,5-dimethylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119443487
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
CID 54869826
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
2-cyano-5-(3,5-dimethylphenoxy)-N,N-diethylpentanamide
CID 82136848
3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic acid
CID 62827385
diethyl 2-[3-(3,5-dimethylphenoxy)propyl]propanedioate
CID 2843530

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide (CID 60731406) is 3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide is CCN(CC)C(=O)CCOc1cc(C)cc(C)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide?
The InChIKey is XMVWQPNYPHWASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-16(6-2)15(17)7-8-18-14-10-12(3)9-13(4)11-14/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide?
3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide has a molecular weight of 249.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide is sourced from PubChem (CID 60731406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).