2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide

C16H25NO3 — CID 63325105

IUPAC2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1ccc(C)cc1CO
InChIInChI=1S/C16H25NO3/c1-6-16(4,5)17-15(19)12(3)20-14-8-7-11(2)9-13(14)10-18/h7-9,12,18H,6,10H2,1-5H3,(H,17,19)
InChIKeyKWUCUCXMWQZJOM-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.56
Rot. Bonds6

About 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide

2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 63325105) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide
PubChem CID63325105
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1ccc(C)cc1CO
InChIInChI=1S/C16H25NO3/c1-6-16(4,5)17-15(19)12(3)20-14-8-7-11(2)9-13(14)10-18/h7-9,12,18H,6,10H2,1-5H3,(H,17,19)
InChIKeyKWUCUCXMWQZJOM-UHFFFAOYSA-N
XLogP2.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 63325789
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide
CID 63325502
2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 115962241
2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 43118005
3-bromo-4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 63052137
2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 61391752
N-(1-amino-2-methylpropan-2-yl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 119522000
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 115956300
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 107665393
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 62369855
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63366211
2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 107497904

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide (CID 63325105) is 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Oc1ccc(C)cc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is KWUCUCXMWQZJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-16(4,5)17-15(19)12(3)20-14-8-7-11(2)9-13(14)10-18/h7-9,12,18H,6,10H2,1-5H3,(H,17,19).
What are the key properties of 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide?
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 63325105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).