N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide

C12H14N2O2 — CID 62399924

IUPACN-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC#N)c(C)c1
InChIInChI=1S/C12H14N2O2/c1-9-3-4-11(10(2)7-9)16-8-12(15)14-6-5-13/h3-4,7H,6,8H2,1-2H3,(H,14,15)
InChIKeyKVVAPTSBGWXVLB-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.32
Rot. Bonds4

About N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide

N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 62399924) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide
PubChem CID62399924
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC#N)c(C)c1
InChIInChI=1S/C12H14N2O2/c1-9-3-4-11(10(2)7-9)16-8-12(15)14-6-5-13/h3-4,7H,6,8H2,1-2H3,(H,14,15)
InChIKeyKVVAPTSBGWXVLB-UHFFFAOYSA-N
XLogP1.32
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate
CID 7275245
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide
CID 43520211
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914299
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 108539406
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide
CID 108571573
2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029702
N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 965412
2-cyano-N-[3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923905

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide (CID 62399924) is N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)NCC#N)c(C)c1.
What is the InChIKey of N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is KVVAPTSBGWXVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-3-4-11(10(2)7-9)16-8-12(15)14-6-5-13/h3-4,7H,6,8H2,1-2H3,(H,14,15).
What are the key properties of N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide?
N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 218.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 62399924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).