3-(3,5-dimethylphenoxy)butanamide

C12H17NO2 — CID 82077475

IUPAC3-(3,5-dimethylphenoxy)butanamide
SMILESCc1cc(C)cc(OC(C)CC(N)=O)c1
InChIInChI=1S/C12H17NO2/c1-8-4-9(2)6-11(5-8)15-10(3)7-12(13)14/h4-6,10H,7H2,1-3H3,(H2,13,14)
InChIKeyAYKWAOVXQXNFEZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.95
Rot. Bonds4

About 3-(3,5-dimethylphenoxy)butanamide

3-(3,5-dimethylphenoxy)butanamide (PubChem CID 82077475) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)butanamide
PubChem CID82077475
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(3,5-dimethylphenoxy)butanamide
SMILESCc1cc(C)cc(OC(C)CC(N)=O)c1
InChIInChI=1S/C12H17NO2/c1-8-4-9(2)6-11(5-8)15-10(3)7-12(13)14/h4-6,10H,7H2,1-3H3,(H2,13,14)
InChIKeyAYKWAOVXQXNFEZ-UHFFFAOYSA-N
XLogP1.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one
CID 64697542
3-(2,4-dimethylphenoxy)butanamide
CID 82077472
2-(3,5-dimethylphenoxy)propylhydrazine
CID 82281841
methyl 3-(1-aminopropan-2-yloxy)-5-methylbenzoate
CID 135226502
1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol
CID 64813378
2-(3,5-dimethylphenoxy)propanehydrazide
CID 2758585
(3S)-3-(4-bromo-3,5-dimethylphenoxy)butanoic acid
CID 107722370
(2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 9173438
(2R)-2-(3,5-dimethylphenoxy)butanoic acid
CID 7016341
(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide
CID 9181944
4-(3,5-dimethylphenoxy)-N-propylpentan-2-amine
CID 64708090
4-(3,5-difluorophenoxy)pentan-2-one
CID 64697141

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)butanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)butanamide (CID 82077475) is 3-(3,5-dimethylphenoxy)butanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)butanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)butanamide is Cc1cc(C)cc(OC(C)CC(N)=O)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)butanamide?
The InChIKey is AYKWAOVXQXNFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-4-9(2)6-11(5-8)15-10(3)7-12(13)14/h4-6,10H,7H2,1-3H3,(H2,13,14).
What are the key properties of 3-(3,5-dimethylphenoxy)butanamide?
3-(3,5-dimethylphenoxy)butanamide has a molecular weight of 207.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)butanamide is sourced from PubChem (CID 82077475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).