N-[cyano-(3-methoxyphenyl)methyl]-N-methylacetamide

C12H14N2O2 — CID 82114025

IUPACN-[cyano-(3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(C(C#N)N(C)C(C)=O)c1
InChIInChI=1S/C12H14N2O2/c1-9(15)14(2)12(8-13)10-5-4-6-11(7-10)16-3/h4-7,12H,1-3H3
InChIKeyPPNPNIZLVVPTBZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.74
Rot. Bonds3

About N-[cyano-(3-methoxyphenyl)methyl]-N-methylacetamide

N-[cyano-(3-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 82114025) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[cyano-(3-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[cyano-(3-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID82114025
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-[cyano-(3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(C(C#N)N(C)C(C)=O)c1
InChIInChI=1S/C12H14N2O2/c1-9(15)14(2)12(8-13)10-5-4-6-11(7-10)16-3/h4-7,12H,1-3H3
InChIKeyPPNPNIZLVVPTBZ-UHFFFAOYSA-N
XLogP1.74
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-methoxyphenyl)-3-oxobutanenitrile
CID 6928256
2-(3-methoxyphenyl)-4-methyl-3-oxopentanenitrile
CID 61262930
3-(dimethylamino)-2-(3-methoxyphenyl)propanenitrile
CID 82076986
2-(3-methoxyphenyl)-4,4-dimethyl-3-oxopentanenitrile
CID 61262926
(2R)-4,4,4-trifluoro-2-(3-methoxyphenyl)-3-oxobutanenitrile
CID 86318932
2-amino-2-(3-methoxyphenyl)acetonitrile
CID 13352448
2-(3-methoxyphenyl)-3-oxopropanenitrile
CID 10352196
2-[[cyano-(3-ethoxyphenyl)methyl]-methylamino]acetic acid
CID 84757529
2-hydroxy-2-[3-(3-methoxyphenoxy)phenyl]acetonitrile
CID 54380272
ethyl 2-cyano-3-(3-methoxyphenyl)-5-oxohexanoate
CID 10589507
methyl 2-[[cyano-(3-methoxyphenyl)methyl]amino]acetate
CID 112500761
2-(3-methoxyphenyl)-5,5-dimethyl-3-oxohexanenitrile
CID 61264033

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(3-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of N-[cyano-(3-methoxyphenyl)methyl]-N-methylacetamide (CID 82114025) is N-[cyano-(3-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[cyano-(3-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[cyano-(3-methoxyphenyl)methyl]-N-methylacetamide is COc1cccc(C(C#N)N(C)C(C)=O)c1.
What is the InChIKey of N-[cyano-(3-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is PPNPNIZLVVPTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9(15)14(2)12(8-13)10-5-4-6-11(7-10)16-3/h4-7,12H,1-3H3.
What are the key properties of N-[cyano-(3-methoxyphenyl)methyl]-N-methylacetamide?
N-[cyano-(3-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 218.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(3-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 82114025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).