2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide

C14H18N2O — CID 115173278

IUPAC2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c(CCNC(=O)CC#N)cc1C
InChIInChI=1S/C14H18N2O/c1-10-8-12(3)13(9-11(10)2)5-7-16-14(17)4-6-15/h8-9H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyNJGZYHLDTMGHPZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.18
Rot. Bonds4

About 2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide

2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide (PubChem CID 115173278) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide
PubChem CID115173278
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c(CCNC(=O)CC#N)cc1C
InChIInChI=1S/C14H18N2O/c1-10-8-12(3)13(9-11(10)2)5-7-16-14(17)4-6-15/h8-9H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyNJGZYHLDTMGHPZ-UHFFFAOYSA-N
XLogP2.18
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-sulfanyl-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 115167394
2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94685624
2-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 115175921
3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide
CID 115173936
2-cyano-N-[2-[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 22684436
N-[3-[(2-cyanoacetyl)amino]propyl]-3-(2-methylphenyl)propanamide
CID 108924383
2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115173409
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]-2-sulfanylacetamide
CID 115167371
2-cyano-N-[2-[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 22684620
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide
CID 110788062
2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
CID 115173093

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide (CID 115173278) is 2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide is Cc1cc(C)c(CCNC(=O)CC#N)cc1C.
What is the InChIKey of 2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide?
The InChIKey is NJGZYHLDTMGHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-8-12(3)13(9-11(10)2)5-7-16-14(17)4-6-15/h8-9H,4-5,7H2,1-3H3,(H,16,17).
What are the key properties of 2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide?
2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide has a molecular weight of 230.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 115173278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).