2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide

C13H14N2O2 — CID 168520883

IUPAC2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1cccc(NC(=O)CC#N)c1
InChIInChI=1S/C13H14N2O2/c1-10(2)9-17-12-5-3-4-11(8-12)15-13(16)6-7-14/h3-5,8H,1,6,9H2,2H3,(H,15,16)
InChIKeyHCYSJTODEZVWRE-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.49
Rot. Bonds5

About 2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide

2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide (PubChem CID 168520883) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
PubChem CID168520883
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1cccc(NC(=O)CC#N)c1
InChIInChI=1S/C13H14N2O2/c1-10(2)9-17-12-5-3-4-11(8-12)15-13(16)6-7-14/h3-5,8H,1,6,9H2,2H3,(H,15,16)
InChIKeyHCYSJTODEZVWRE-UHFFFAOYSA-N
XLogP2.49
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[(2-cyanoacetyl)amino]phenyl] 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 67650306
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54826557
N-(3-methoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825899
2,2-dimethyl-4-[3-(2-methylprop-2-enoxy)anilino]-4-oxobutanoic acid
CID 119133786
3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17133121
3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
methyl 4-[[3-(2-methylprop-2-enoxy)phenyl]carbamoyl]benzoate
CID 17178302
2-(4-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810204
2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54809113
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide
CID 54824758
N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide
CID 62328244

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide (CID 168520883) is 2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide is C=C(C)COc1cccc(NC(=O)CC#N)c1.
What is the InChIKey of 2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The InChIKey is HCYSJTODEZVWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10(2)9-17-12-5-3-4-11(8-12)15-13(16)6-7-14/h3-5,8H,1,6,9H2,2H3,(H,15,16).
What are the key properties of 2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide has a molecular weight of 230.27 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide is sourced from PubChem (CID 168520883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).