2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide

C14H20ClNO3 — CID 81047647

IUPAC2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NC(C)CCO
InChIInChI=1S/C14H20ClNO3/c1-9-8-12(15)4-5-13(9)19-11(3)14(18)16-10(2)6-7-17/h4-5,8,10-11,17H,6-7H2,1-3H3,(H,16,18)
InChIKeyZEQFOMSJGRVONQ-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.30
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide

2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide (PubChem CID 81047647) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
PubChem CID81047647
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NC(C)CCO
InChIInChI=1S/C14H20ClNO3/c1-9-8-12(15)4-5-13(9)19-11(3)14(18)16-10(2)6-7-17/h4-5,8,10-11,17H,6-7H2,1-3H3,(H,16,18)
InChIKeyZEQFOMSJGRVONQ-UHFFFAOYSA-N
XLogP2.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283555
ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate
CID 47494461
N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
CID 43324858
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
CID 86921283
2-[2-[(1S)-1-aminoethyl]-4-chlorophenoxy]-N-pentan-2-ylpropanamide
CID 63366584
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242
2-(4-chloro-2-methylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103716292
(2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide
CID 8709004

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide (CID 81047647) is 2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)NC(C)CCO.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide?
The InChIKey is ZEQFOMSJGRVONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-9-8-12(15)4-5-13(9)19-11(3)14(18)16-10(2)6-7-17/h4-5,8,10-11,17H,6-7H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide?
2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide has a molecular weight of 285.77 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide is sourced from PubChem (CID 81047647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).