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

C15H20N2O — CID 82130384

IUPAC2-cyano-N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c(CCN(C)C(=O)CC#N)c(C)c1
InChIInChI=1S/C15H20N2O/c1-11-9-12(2)14(13(3)10-11)6-8-17(4)15(18)5-7-16/h9-10H,5-6,8H2,1-4H3
InChIKeyUULKUKYFQODEPS-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.53
Rot. Bonds4

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

2-cyano-N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide (PubChem CID 82130384) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
PubChem CID82130384
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-cyano-N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c(CCN(C)C(=O)CC#N)c(C)c1
InChIInChI=1S/C15H20N2O/c1-11-9-12(2)14(13(3)10-11)6-8-17(4)15(18)5-7-16/h9-10H,5-6,8H2,1-4H3
InChIKeyUULKUKYFQODEPS-UHFFFAOYSA-N
XLogP2.53
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 115168083
2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide
CID 115173165
N-[2-(3-bromophenyl)ethyl]-2-cyano-N-methylacetamide
CID 82134700
2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 115173346
2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 82127602
2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide
CID 115173226
2-cyano-N-[2-(diethylamino)ethyl]-N-methylacetamide
CID 165346740
methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate
CID 115190817
2-cyano-N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-N-methylacetamide
CID 115173364
N-[2-(3H-benzimidazol-5-yl)ethyl]-2-cyano-N-methylacetamide
CID 115173373
N-methyl-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]acetamide
CID 115191285
4-[(2-methoxy-4,6-dimethylphenyl)methyl-methylamino]-3-oxobutanenitrile
CID 117038494

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-cyano-N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide (CID 82130384) is 2-cyano-N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-cyano-N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide is Cc1cc(C)c(CCN(C)C(=O)CC#N)c(C)c1.
What is the InChIKey of 2-cyano-N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
The InChIKey is UULKUKYFQODEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-9-12(2)14(13(3)10-11)6-8-17(4)15(18)5-7-16/h9-10H,5-6,8H2,1-4H3.
What are the key properties of 2-cyano-N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
2-cyano-N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide has a molecular weight of 244.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 82130384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).