2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide

C14H18N2O2 — CID 115173142

IUPAC2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide
SMILESCOc1cc(C)c(CNC(=O)CC#N)c(C)c1C
InChIInChI=1S/C14H18N2O2/c1-9-7-13(18-4)11(3)10(2)12(9)8-16-14(17)5-6-15/h7H,5,8H2,1-4H3,(H,16,17)
InChIKeyUDVPCTDPYCYMGB-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.15
Rot. Bonds4

About 2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide

2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide (PubChem CID 115173142) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide
PubChem CID115173142
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide
SMILESCOc1cc(C)c(CNC(=O)CC#N)c(C)c1C
InChIInChI=1S/C14H18N2O2/c1-9-7-13(18-4)11(3)10(2)12(9)8-16-14(17)5-6-15/h7H,5,8H2,1-4H3,(H,16,17)
InChIKeyUDVPCTDPYCYMGB-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

2-cyano-N-[(2,5-dimethoxy-4-methylphenyl)methyl]acetamide
CID 115173100
2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
CID 115173093
2-cyano-N-[(2,4-dimethoxy-3-methylphenyl)methyl]acetamide
CID 115173101
N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide
CID 115158909
2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 20985064
3-(4-methoxy-2,3,6-trimethylphenyl)propanenitrile
CID 116927391
3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide
CID 115173817
2-cyano-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylacetamide
CID 115173052
2-cyano-N-[[4-methoxy-3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 22684082
2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea
CID 115168578
N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
CID 115258612
2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94685624

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide?
The IUPAC name of 2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide (CID 115173142) is 2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide?
The canonical SMILES for 2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide is COc1cc(C)c(CNC(=O)CC#N)c(C)c1C.
What is the InChIKey of 2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide?
The InChIKey is UDVPCTDPYCYMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-7-13(18-4)11(3)10(2)12(9)8-16-14(17)5-6-15/h7H,5,8H2,1-4H3,(H,16,17).
What are the key properties of 2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide?
2-cyano-N-[(4-methoxy-2,3,6-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-2,3,6-trimethylphenyl)methyl]acetamide is sourced from PubChem (CID 115173142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).