N-cyano-3-(2,5-dimethylphenoxy)propanamide

C12H14N2O2 — CID 79194357

IUPACN-cyano-3-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OCCC(=O)NC#N)c1
InChIInChI=1S/C12H14N2O2/c1-9-3-4-10(2)11(7-9)16-6-5-12(15)14-8-13/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKeyQZVDRBNPCHHNKS-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.67
Rot. Bonds4

About N-cyano-3-(2,5-dimethylphenoxy)propanamide

N-cyano-3-(2,5-dimethylphenoxy)propanamide (PubChem CID 79194357) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-cyano-3-(2,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-cyano-3-(2,5-dimethylphenoxy)propanamide
PubChem CID79194357
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-cyano-3-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OCCC(=O)NC#N)c1
InChIInChI=1S/C12H14N2O2/c1-9-3-4-10(2)11(7-9)16-6-5-12(15)14-8-13/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKeyQZVDRBNPCHHNKS-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 27259732
N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 43824298
4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
CID 56812747
(2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid
CID 54991126
3-(2,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 78799816
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318602
3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 43009894
N'-[3-(2,5-dimethylphenoxy)propanoyl]benzohydrazide
CID 7780022
3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66107764

Frequently Asked Questions

What is the IUPAC name of N-cyano-3-(2,5-dimethylphenoxy)propanamide?
The IUPAC name of N-cyano-3-(2,5-dimethylphenoxy)propanamide (CID 79194357) is N-cyano-3-(2,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-cyano-3-(2,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-cyano-3-(2,5-dimethylphenoxy)propanamide is Cc1ccc(C)c(OCCC(=O)NC#N)c1.
What is the InChIKey of N-cyano-3-(2,5-dimethylphenoxy)propanamide?
The InChIKey is QZVDRBNPCHHNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-3-4-10(2)11(7-9)16-6-5-12(15)14-8-13/h3-4,7H,5-6H2,1-2H3,(H,14,15).
What are the key properties of N-cyano-3-(2,5-dimethylphenoxy)propanamide?
N-cyano-3-(2,5-dimethylphenoxy)propanamide has a molecular weight of 218.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-3-(2,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 79194357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).