3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide

C13H19NO2 — CID 60637180

IUPAC3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
SMILESCc1ccc(C)c(OCCC(=O)N(C)C)c1
InChIInChI=1S/C13H19NO2/c1-10-5-6-11(2)12(9-10)16-8-7-13(15)14(3)4/h5-6,9H,7-8H2,1-4H3
InChIKeyHMCHNPBAHXTHEV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.16
Rot. Bonds4

About 3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide

3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide (PubChem CID 60637180) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
PubChem CID60637180
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
SMILESCc1ccc(C)c(OCCC(=O)N(C)C)c1
InChIInChI=1S/C13H19NO2/c1-10-5-6-11(2)12(9-10)16-8-7-13(15)14(3)4/h5-6,9H,7-8H2,1-4H3
InChIKeyHMCHNPBAHXTHEV-UHFFFAOYSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(dimethylamino)-3-oxopropoxy]-4-methylbenzoic acid
CID 61379990
3-(5-carbamothioyl-2-methylphenoxy)-N,N-dimethylpropanamide
CID 107656566
methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate
CID 61243938
3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
CID 55246301
3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide
CID 77003549
3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79376617
3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 63366501
2-[5-(2,5-dimethylphenoxy)pentanoyl-methylamino]acetic acid
CID 119172218
3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 61039897
3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 7918580
7-(2,5-dimethylphenoxy)heptanoic acid
CID 39353078
propan-2-yl 3-(2,5-dimethylphenoxy)propanoate
CID 112722920

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide (CID 60637180) is 3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide is Cc1ccc(C)c(OCCC(=O)N(C)C)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide?
The InChIKey is HMCHNPBAHXTHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-5-6-11(2)12(9-10)16-8-7-13(15)14(3)4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide?
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide is sourced from PubChem (CID 60637180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).