3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide

C16H25NO3 — CID 66107764

IUPAC3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
SMILESCc1ccc(C)c(OCCC(=O)NCC(C)CCO)c1
InChIInChI=1S/C16H25NO3/c1-12-4-5-14(3)15(10-12)20-9-7-16(19)17-11-13(2)6-8-18/h4-5,10,13,18H,6-9,11H2,1-3H3,(H,17,19)
InChIKeyVFYGTYGPQQGIGP-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.21
Rot. Bonds8

About 3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide

3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide (PubChem CID 66107764) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
PubChem CID66107764
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
SMILESCc1ccc(C)c(OCCC(=O)NCC(C)CCO)c1
InChIInChI=1S/C16H25NO3/c1-12-4-5-14(3)15(10-12)20-9-7-16(19)17-11-13(2)6-8-18/h4-5,10,13,18H,6-9,11H2,1-3H3,(H,17,19)
InChIKeyVFYGTYGPQQGIGP-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318602
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
(2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid
CID 54991126
3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 27259732
N-(4-hydroxy-2-methylbutyl)-4-(3-methylphenoxy)butanamide
CID 66107103
4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
CID 56812747
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide
CID 66109025
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dimethylphenoxy)propanamide
CID 78784104
3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66089630
N-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride
CID 119497520
3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 43009894
N-cyano-3-(2,5-dimethylphenoxy)propanamide
CID 79194357

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide (CID 66107764) is 3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide is Cc1ccc(C)c(OCCC(=O)NCC(C)CCO)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide?
The InChIKey is VFYGTYGPQQGIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12-4-5-14(3)15(10-12)20-9-7-16(19)17-11-13(2)6-8-18/h4-5,10,13,18H,6-9,11H2,1-3H3,(H,17,19).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide?
3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide is sourced from PubChem (CID 66107764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).