1-cyano-N-(3-ethyl-4-methoxyphenyl)formamide

C11H12N2O2 — CID 115171848

IUPAC1-cyano-N-(3-ethyl-4-methoxyphenyl)formamide
SMILESCCc1cc(NC(=O)C#N)ccc1OC
InChIInChI=1S/C11H12N2O2/c1-3-8-6-9(13-11(14)7-12)4-5-10(8)15-2/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyDRCLWMKSFUUAFP-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.72
Rot. Bonds3

About 1-cyano-N-(3-ethyl-4-methoxyphenyl)formamide

1-cyano-N-(3-ethyl-4-methoxyphenyl)formamide (PubChem CID 115171848) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-cyano-N-(3-ethyl-4-methoxyphenyl)formamide.

Molecular Properties

Compound Name1-cyano-N-(3-ethyl-4-methoxyphenyl)formamide
PubChem CID115171848
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-cyano-N-(3-ethyl-4-methoxyphenyl)formamide
SMILESCCc1cc(NC(=O)C#N)ccc1OC
InChIInChI=1S/C11H12N2O2/c1-3-8-6-9(13-11(14)7-12)4-5-10(8)15-2/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyDRCLWMKSFUUAFP-UHFFFAOYSA-N
XLogP1.72
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(3-ethyl-4-methoxyphenyl)acetamide
CID 115172874
N-(3-bromo-4-methoxyphenyl)-1-cyanoformamide
CID 115171833
2-(3-ethyl-4-methoxyanilino)acetonitrile
CID 115130737
N-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide
CID 115171854
1-cyano-N-(3,4-dimethylphenyl)formamide
CID 4056837
4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide
CID 98784022
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
N-(3-ethyl-4-methoxyphenyl)furan-2-carboxamide
CID 110777193
3-(3-ethyl-4-methoxyanilino)propanoic acid
CID 98783832
2-(5-acetamido-2-methoxyphenyl)acetamide
CID 82494406
N-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide
CID 115172151
4-(3-ethyl-4-methoxyanilino)butanoic acid
CID 115218434

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3-ethyl-4-methoxyphenyl)formamide?
The IUPAC name of 1-cyano-N-(3-ethyl-4-methoxyphenyl)formamide (CID 115171848) is 1-cyano-N-(3-ethyl-4-methoxyphenyl)formamide.
What is the SMILES notation for 1-cyano-N-(3-ethyl-4-methoxyphenyl)formamide?
The canonical SMILES for 1-cyano-N-(3-ethyl-4-methoxyphenyl)formamide is CCc1cc(NC(=O)C#N)ccc1OC.
What is the InChIKey of 1-cyano-N-(3-ethyl-4-methoxyphenyl)formamide?
The InChIKey is DRCLWMKSFUUAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-8-6-9(13-11(14)7-12)4-5-10(8)15-2/h4-6H,3H2,1-2H3,(H,13,14).
What are the key properties of 1-cyano-N-(3-ethyl-4-methoxyphenyl)formamide?
1-cyano-N-(3-ethyl-4-methoxyphenyl)formamide has a molecular weight of 204.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3-ethyl-4-methoxyphenyl)formamide is sourced from PubChem (CID 115171848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).