N-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide

C13H19NO3 — CID 107680226

IUPACN-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide
SMILESCCC(C)NC(=O)COc1cc(C)cc(O)c1
InChIInChI=1S/C13H19NO3/c1-4-10(3)14-13(16)8-17-12-6-9(2)5-11(15)7-12/h5-7,10,15H,4,8H2,1-3H3,(H,14,16)
InChIKeyLXUCKUZKIFOAQW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.99
Rot. Bonds5

About N-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide

N-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide (PubChem CID 107680226) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide
PubChem CID107680226
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide
SMILESCCC(C)NC(=O)COc1cc(C)cc(O)c1
InChIInChI=1S/C13H19NO3/c1-4-10(3)14-13(16)8-17-12-6-9(2)5-11(15)7-12/h5-7,10,15H,4,8H2,1-3H3,(H,14,16)
InChIKeyLXUCKUZKIFOAQW-UHFFFAOYSA-N
XLogP1.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide
CID 78530824
N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
CID 26076171
N-(cyanomethyl)-2-(3-hydroxy-5-methylphenoxy)acetamide
CID 107679875
2-(3-hydroxy-5-methylphenoxy)-N-phenylacetamide
CID 107679862
ethyl 2-(3-hydroxy-5-methylphenoxy)acetate
CID 90066634
2-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide
CID 80964753
2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
CID 2949556
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 95168672
N-[(2S)-butan-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406901
2-[2-(butan-2-ylamino)-2-oxoethoxy]-3,5-dimethylbenzenesulfonyl chloride
CID 82911938
(2R)-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975873

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide?
The IUPAC name of N-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide (CID 107680226) is N-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide?
The canonical SMILES for N-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide is CCC(C)NC(=O)COc1cc(C)cc(O)c1.
What is the InChIKey of N-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide?
The InChIKey is LXUCKUZKIFOAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-10(3)14-13(16)8-17-12-6-9(2)5-11(15)7-12/h5-7,10,15H,4,8H2,1-3H3,(H,14,16).
What are the key properties of N-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide?
N-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide is sourced from PubChem (CID 107680226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).