2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide

C14H18N2O2 — CID 115173093

IUPAC2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
SMILESCOc1c(C)cc(CNC(=O)CC#N)c(C)c1C
InChIInChI=1S/C14H18N2O2/c1-9-7-12(8-16-13(17)5-6-15)10(2)11(3)14(9)18-4/h7H,5,8H2,1-4H3,(H,16,17)
InChIKeyAHSPZNGLWULHGD-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.15
Rot. Bonds4

About 2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide

2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide (PubChem CID 115173093) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
PubChem CID115173093
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
SMILESCOc1c(C)cc(CNC(=O)CC#N)c(C)c1C
InChIInChI=1S/C14H18N2O2/c1-9-7-12(8-16-13(17)5-6-15)10(2)11(3)14(9)18-4/h7H,5,8H2,1-4H3,(H,16,17)
InChIKeyAHSPZNGLWULHGD-UHFFFAOYSA-N
XLogP2.15
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid
CID 115170855
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
CID 110782878
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide
CID 115175643
2-cyano-N-[(2,5-dimethoxy-4-methylphenyl)methyl]acetamide
CID 115173100
2-cyano-N-[(2,4-dimethoxy-3-methylphenyl)methyl]acetamide
CID 115173101
2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide
CID 115173142
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]azetidine-3-carboxamide
CID 115158865
2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid
CID 115127967
2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110769367
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
2-cyano-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]acetamide
CID 99830862
2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 115173278

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide?
The IUPAC name of 2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide (CID 115173093) is 2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide?
The canonical SMILES for 2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide is COc1c(C)cc(CNC(=O)CC#N)c(C)c1C.
What is the InChIKey of 2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide?
The InChIKey is AHSPZNGLWULHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-7-12(8-16-13(17)5-6-15)10(2)11(3)14(9)18-4/h7H,5,8H2,1-4H3,(H,16,17).
What are the key properties of 2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide?
2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide has a molecular weight of 246.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide is sourced from PubChem (CID 115173093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).