2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide

C15H22ClNO3 — CID 79291324

IUPAC2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C15H22ClNO3/c1-10-8-12(16)6-7-13(10)20-11(2)14(18)17(5)9-15(3,4)19/h6-8,11,19H,9H2,1-5H3
InChIKeyKQKFJGCUSFNFEF-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.65
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide

2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide (PubChem CID 79291324) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
PubChem CID79291324
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C15H22ClNO3/c1-10-8-12(16)6-7-13(10)20-11(2)14(18)17(5)9-15(3,4)19/h6-8,11,19H,9H2,1-5H3
InChIKeyKQKFJGCUSFNFEF-UHFFFAOYSA-N
XLogP2.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide
CID 112787380
N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-N-methylpropanamide
CID 119653129
2-(4-chloro-2-methylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 56509742
2-(4-chloro-2-methylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 86997262
2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 111663126
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
silver 2-(4-chloro-2-methylphenoxy)propanoate
CID 159374352
magnesium 2-(4-chloro-2-methylphenoxy)propanoate
CID 3015469
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 111543293
2-(4-chloro-2-methylphenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576645
deuterio 2-(4-chloro-2-methylphenoxy)propanoate
CID 138402743

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide (CID 79291324) is 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide is Cc1cc(Cl)ccc1OC(C)C(=O)N(C)CC(C)(C)O.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The InChIKey is KQKFJGCUSFNFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-10-8-12(16)6-7-13(10)20-11(2)14(18)17(5)9-15(3,4)19/h6-8,11,19H,9H2,1-5H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide has a molecular weight of 299.80 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide is sourced from PubChem (CID 79291324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).