N-(cyanomethyl)-2-(3-hydroxy-5-methylphenoxy)acetamide

C11H12N2O3 — CID 107679875

IUPACN-(cyanomethyl)-2-(3-hydroxy-5-methylphenoxy)acetamide
SMILESCc1cc(O)cc(OCC(=O)NCC#N)c1
InChIInChI=1S/C11H12N2O3/c1-8-4-9(14)6-10(5-8)16-7-11(15)13-3-2-12/h4-6,14H,3,7H2,1H3,(H,13,15)
InChIKeyBXVSBVSGXXTLPF-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.72
Rot. Bonds4

About N-(cyanomethyl)-2-(3-hydroxy-5-methylphenoxy)acetamide

N-(cyanomethyl)-2-(3-hydroxy-5-methylphenoxy)acetamide (PubChem CID 107679875) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(3-hydroxy-5-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(3-hydroxy-5-methylphenoxy)acetamide
PubChem CID107679875
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-(cyanomethyl)-2-(3-hydroxy-5-methylphenoxy)acetamide
SMILESCc1cc(O)cc(OCC(=O)NCC#N)c1
InChIInChI=1S/C11H12N2O3/c1-8-4-9(14)6-10(5-8)16-7-11(15)13-3-2-12/h4-6,14H,3,7H2,1H3,(H,13,15)
InChIKeyBXVSBVSGXXTLPF-UHFFFAOYSA-N
XLogP0.72
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxy-5-methylphenoxy)-N-phenylacetamide
CID 107679862
N-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide
CID 107680226
2-(3-hydroxy-5-methylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 107680223
N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide
CID 62399924
N-(cyanomethyl)-2-naphthalen-2-yloxyacetamide
CID 51103110
2-(3-hydroxy-5-methylphenoxy)-N,N-dimethylacetamide
CID 19856163
ethyl 2-(3-hydroxy-5-methylphenoxy)acetate
CID 90066634
N-(3-fluorophenyl)-2-(3-hydroxy-5-methylphenoxy)acetamide
CID 107679675
ethyl 4-[2-(cyanomethylamino)-2-oxoethoxy]benzoate
CID 63118906
2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391085
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60624693
2-amino-5-[2-(cyanomethylamino)-2-oxoethoxy]benzoic acid
CID 107076873

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(3-hydroxy-5-methylphenoxy)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(3-hydroxy-5-methylphenoxy)acetamide (CID 107679875) is N-(cyanomethyl)-2-(3-hydroxy-5-methylphenoxy)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(3-hydroxy-5-methylphenoxy)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(3-hydroxy-5-methylphenoxy)acetamide is Cc1cc(O)cc(OCC(=O)NCC#N)c1.
What is the InChIKey of N-(cyanomethyl)-2-(3-hydroxy-5-methylphenoxy)acetamide?
The InChIKey is BXVSBVSGXXTLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-8-4-9(14)6-10(5-8)16-7-11(15)13-3-2-12/h4-6,14H,3,7H2,1H3,(H,13,15).
What are the key properties of N-(cyanomethyl)-2-(3-hydroxy-5-methylphenoxy)acetamide?
N-(cyanomethyl)-2-(3-hydroxy-5-methylphenoxy)acetamide has a molecular weight of 220.23 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(3-hydroxy-5-methylphenoxy)acetamide is sourced from PubChem (CID 107679875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).