2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide

C15H22ClNO3 — CID 115956300

IUPAC2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1c(Cl)cccc1CO
InChIInChI=1S/C15H22ClNO3/c1-5-15(3,4)17-14(19)10(2)20-13-11(9-18)7-6-8-12(13)16/h6-8,10,18H,5,9H2,1-4H3,(H,17,19)
InChIKeySORIWWPKYPABCQ-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.90
Rot. Bonds6

About 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide

2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 115956300) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide
PubChem CID115956300
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1c(Cl)cccc1CO
InChIInChI=1S/C15H22ClNO3/c1-5-15(3,4)17-14(19)10(2)20-13-11(9-18)7-6-8-12(13)16/h6-8,10,18H,5,9H2,1-4H3,(H,17,19)
InChIKeySORIWWPKYPABCQ-UHFFFAOYSA-N
XLogP2.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 61391752
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
CID 115956282
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide
CID 115956267
2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 114322624
2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 114321631
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63325105
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
2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 61400047
2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide
CID 112612856
2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 107497904
2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 43112351

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide (CID 115956300) is 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Oc1c(Cl)cccc1CO.
What is the InChIKey of 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is SORIWWPKYPABCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-5-15(3,4)17-14(19)10(2)20-13-11(9-18)7-6-8-12(13)16/h6-8,10,18H,5,9H2,1-4H3,(H,17,19).
What are the key properties of 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide?
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 299.80 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 115956300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).