3-(2,4-dimethylphenoxy)butanamide

C12H17NO2 — CID 82077472

IUPAC3-(2,4-dimethylphenoxy)butanamide
SMILESCc1ccc(OC(C)CC(N)=O)c(C)c1
InChIInChI=1S/C12H17NO2/c1-8-4-5-11(9(2)6-8)15-10(3)7-12(13)14/h4-6,10H,7H2,1-3H3,(H2,13,14)
InChIKeyCXGZXJQWJGTDBI-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.95
Rot. Bonds4

About 3-(2,4-dimethylphenoxy)butanamide

3-(2,4-dimethylphenoxy)butanamide (PubChem CID 82077472) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(2,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenoxy)butanamide
PubChem CID82077472
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(2,4-dimethylphenoxy)butanamide
SMILESCc1ccc(OC(C)CC(N)=O)c(C)c1
InChIInChI=1S/C12H17NO2/c1-8-4-5-11(9(2)6-8)15-10(3)7-12(13)14/h4-6,10H,7H2,1-3H3,(H2,13,14)
InChIKeyCXGZXJQWJGTDBI-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

2-(2,4-dimethylphenoxy)propan-1-ol
CID 82075061
1-butan-2-yloxy-2,4-dimethylbenzene;ethane
CID 142890016
3-(3,5-dimethylphenoxy)butanamide
CID 82077475
1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene
CID 70331927
(2S)-2-(2,4-dimethylphenoxy)propanoyl chloride
CID 51663759
4-(2-bromo-4-methylphenoxy)pentan-2-one
CID 64699329
2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol
CID 64802229
(3R)-3-(4-bromo-2-methylphenoxy)butanoic acid
CID 103548018
4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine
CID 64707879
3-(2,4-dimethylphenoxy)pentan-2-one
CID 54360521
(2,4-dimethylphenyl) 2-methylbutanoate
CID 20826576
methyl 3-(2-methoxy-4-methylphenoxy)butanoate
CID 43536054

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenoxy)butanamide?
The IUPAC name of 3-(2,4-dimethylphenoxy)butanamide (CID 82077472) is 3-(2,4-dimethylphenoxy)butanamide.
What is the SMILES notation for 3-(2,4-dimethylphenoxy)butanamide?
The canonical SMILES for 3-(2,4-dimethylphenoxy)butanamide is Cc1ccc(OC(C)CC(N)=O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenoxy)butanamide?
The InChIKey is CXGZXJQWJGTDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-4-5-11(9(2)6-8)15-10(3)7-12(13)14/h4-6,10H,7H2,1-3H3,(H2,13,14).
What are the key properties of 3-(2,4-dimethylphenoxy)butanamide?
3-(2,4-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-(2,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 82077472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).