1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide

C12H14N2O2 — CID 115172715

IUPAC1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide
SMILESCOc1ccccc1CCN(C)C(=O)C#N
InChIInChI=1S/C12H14N2O2/c1-14(12(15)9-13)8-7-10-5-3-4-6-11(10)16-2/h3-6H,7-8H2,1-2H3
InChIKeyOKEAMQPOBAMUHN-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.22
Rot. Bonds4

About 1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide

1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide (PubChem CID 115172715) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide.

Molecular Properties

Compound Name1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide
PubChem CID115172715
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide
SMILESCOc1ccccc1CCN(C)C(=O)C#N
InChIInChI=1S/C12H14N2O2/c1-14(12(15)9-13)8-7-10-5-3-4-6-11(10)16-2/h3-6H,7-8H2,1-2H3
InChIKeyOKEAMQPOBAMUHN-UHFFFAOYSA-N
XLogP1.22
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170477
2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115188455
N-[2-(2-methoxyphenyl)ethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119776514
2-(4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287852
2-(2-methoxyphenyl)acetyl cyanide
CID 89033062
N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84512305
3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 119121687
2-(1-hydroxycyclohexyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 111538086
(3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide
CID 124685580
3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94685610
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 86892040
N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 94258994

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide?
The IUPAC name of 1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide (CID 115172715) is 1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide.
What is the SMILES notation for 1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide?
The canonical SMILES for 1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide is COc1ccccc1CCN(C)C(=O)C#N.
What is the InChIKey of 1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide?
The InChIKey is OKEAMQPOBAMUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-14(12(15)9-13)8-7-10-5-3-4-6-11(10)16-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide?
1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide has a molecular weight of 218.26 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide is sourced from PubChem (CID 115172715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).