N-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide

C13H16N2O2 — CID 96660374

IUPACN-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide
SMILESCCc1ccc(OC)c(CC(=O)NCC#N)c1
InChIInChI=1S/C13H16N2O2/c1-3-10-4-5-12(17-2)11(8-10)9-13(16)15-7-6-14/h4-5,8H,3,7,9H2,1-2H3,(H,15,16)
InChIKeyBZIAHXHIVXOLKL-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.44
Rot. Bonds5

About N-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide

N-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide (PubChem CID 96660374) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide
PubChem CID96660374
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide
SMILESCCc1ccc(OC)c(CC(=O)NCC#N)c1
InChIInChI=1S/C13H16N2O2/c1-3-10-4-5-12(17-2)11(8-10)9-13(16)15-7-6-14/h4-5,8H,3,7,9H2,1-2H3,(H,15,16)
InChIKeyBZIAHXHIVXOLKL-UHFFFAOYSA-N
XLogP1.44
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-ethyl-2-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 98784014
2-[(3-ethyl-4-methoxyphenyl)methylamino]acetonitrile
CID 115130978
N-[(5-ethyl-2-methoxyphenyl)methyl]pentanamide
CID 110781781
N-(cyanomethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 96660716
2-cyano-N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 115175101
methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate
CID 110788778
1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 110775027
2-[(5-ethyl-2-methoxyphenyl)methyl]prop-2-enoic acid
CID 116866222
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamoyl chloride
CID 115194910
2-(cyclopropylamino)-N-[(5-ethyl-2-methoxyphenyl)methyl]acetamide
CID 115158448
2-[(5-ethyl-2-methoxyphenyl)methoxy]-N'-methylacetohydrazide
CID 116846743
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide (CID 96660374) is N-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide is CCc1ccc(OC)c(CC(=O)NCC#N)c1.
What is the InChIKey of N-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide?
The InChIKey is BZIAHXHIVXOLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-10-4-5-12(17-2)11(8-10)9-13(16)15-7-6-14/h4-5,8H,3,7,9H2,1-2H3,(H,15,16).
What are the key properties of N-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide?
N-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide has a molecular weight of 232.28 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide is sourced from PubChem (CID 96660374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).