2-(2-chloro-5-methylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide

C14H20ClNO3 — CID 115767371

IUPAC2-(2-chloro-5-methylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide
SMILESCCC(CCO)NC(=O)COc1cc(C)ccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-3-11(6-7-17)16-14(18)9-19-13-8-10(2)4-5-12(13)15/h4-5,8,11,17H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyGHFHVKSTXSMNOU-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.30
Rot. Bonds7

About 2-(2-chloro-5-methylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide

2-(2-chloro-5-methylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide (PubChem CID 115767371) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide
PubChem CID115767371
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide
SMILESCCC(CCO)NC(=O)COc1cc(C)ccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-3-11(6-7-17)16-14(18)9-19-13-8-10(2)4-5-12(13)15/h4-5,8,11,17H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyGHFHVKSTXSMNOU-UHFFFAOYSA-N
XLogP2.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
CID 60623539
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]butanoic acid
CID 43387304
2-(2-amino-5-methylphenoxy)-N-pentan-3-ylacetamide
CID 54956904
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 63649947
2-(2-chloro-5-methylphenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 24550405
2-(2-chloro-5-methylphenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103801265
2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 17328353
methyl 2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-3-methylbutanoate
CID 17393717
2-(2-amino-4-methylphenoxy)-N-pentan-3-ylacetamide
CID 54957008
(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822223
2-(2-chloro-5-nitrophenoxy)-N-pentan-3-ylacetamide
CID 79496401
3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide
CID 115735175

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide (CID 115767371) is 2-(2-chloro-5-methylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide is CCC(CCO)NC(=O)COc1cc(C)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide?
The InChIKey is GHFHVKSTXSMNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-3-11(6-7-17)16-14(18)9-19-13-8-10(2)4-5-12(13)15/h4-5,8,11,17H,3,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide?
2-(2-chloro-5-methylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide has a molecular weight of 285.77 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide is sourced from PubChem (CID 115767371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).