3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide

C16H25NO3 — CID 115735175

IUPAC3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide
SMILESCCC(CCO)NC(=O)CCOc1ccc(C)cc1C
InChIInChI=1S/C16H25NO3/c1-4-14(7-9-18)17-16(19)8-10-20-15-6-5-12(2)11-13(15)3/h5-6,11,14,18H,4,7-10H2,1-3H3,(H,17,19)
InChIKeyIXKVULFZVYPCON-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.35
Rot. Bonds8

About 3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide

3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide (PubChem CID 115735175) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide
PubChem CID115735175
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide
SMILESCCC(CCO)NC(=O)CCOc1ccc(C)cc1C
InChIInChI=1S/C16H25NO3/c1-4-14(7-9-18)17-16(19)8-10-20-15-6-5-12(2)11-13(15)3/h5-6,11,14,18H,4,7-10H2,1-3H3,(H,17,19)
InChIKeyIXKVULFZVYPCON-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[3-(2,4-dimethylphenoxy)propanoylamino]-3-hydroxypropanoic acid
CID 80750754
N-[(2S)-1-hydroxybutan-2-yl]-3-(2-methylphenoxy)propanamide
CID 104981198
2-(2-chloro-5-methylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide
CID 115767371
N-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride
CID 119497520
N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide
CID 115767323
3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64556599
3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide
CID 43059642
N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide
CID 115767191
3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 65113922
1-[(2,4-dimethylphenoxy)methyl]-3-(1-hydroxybutan-2-yl)urea
CID 108870738
4-(2,4-dimethylphenoxy)-2-ethylbutanoic acid
CID 112511294
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide?
The IUPAC name of 3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide (CID 115735175) is 3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide?
The canonical SMILES for 3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide is CCC(CCO)NC(=O)CCOc1ccc(C)cc1C.
What is the InChIKey of 3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide?
The InChIKey is IXKVULFZVYPCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-14(7-9-18)17-16(19)8-10-20-15-6-5-12(2)11-13(15)3/h5-6,11,14,18H,4,7-10H2,1-3H3,(H,17,19).
What are the key properties of 3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide?
3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide is sourced from PubChem (CID 115735175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).