N-cyano-4-(4-methylphenoxy)butanamide

C12H14N2O2 — CID 79195319

IUPACN-cyano-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NC#N)cc1
InChIInChI=1S/C12H14N2O2/c1-10-4-6-11(7-5-10)16-8-2-3-12(15)14-9-13/h4-7H,2-3,8H2,1H3,(H,14,15)
InChIKeyGPGPHQOCEGGTEU-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.75
Rot. Bonds5

About N-cyano-4-(4-methylphenoxy)butanamide

N-cyano-4-(4-methylphenoxy)butanamide (PubChem CID 79195319) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-cyano-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-cyano-4-(4-methylphenoxy)butanamide
PubChem CID79195319
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-cyano-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NC#N)cc1
InChIInChI=1S/C12H14N2O2/c1-10-4-6-11(7-5-10)16-8-2-3-12(15)14-9-13/h4-7H,2-3,8H2,1H3,(H,14,15)
InChIKeyGPGPHQOCEGGTEU-UHFFFAOYSA-N
XLogP1.75
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-4-(4-methylphenoxy)butanehydrazide
CID 116820718
N-methyl-5-(4-methylphenoxy)pentanamide
CID 134582282
N-iodo-5-(4-methylphenoxy)pentanamide
CID 146332162
N-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide
CID 79676685
N-cyano-3-(4-methylphenyl)sulfanylpropanamide
CID 79194035
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
N-cyano-3-(2,5-dimethylphenoxy)propanamide
CID 79194357
N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 24645668
methyl 2-[4-(4-methylphenoxy)butanoylamino]propanoate
CID 60638192
4-[4-(4-methylphenyl)phenoxy]butanoic acid
CID 22680200
potassium 4-(4-methylphenoxy)butanoate
CID 19205465

Frequently Asked Questions

What is the IUPAC name of N-cyano-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-cyano-4-(4-methylphenoxy)butanamide (CID 79195319) is N-cyano-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-cyano-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-cyano-4-(4-methylphenoxy)butanamide is Cc1ccc(OCCCC(=O)NC#N)cc1.
What is the InChIKey of N-cyano-4-(4-methylphenoxy)butanamide?
The InChIKey is GPGPHQOCEGGTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-10-4-6-11(7-5-10)16-8-2-3-12(15)14-9-13/h4-7H,2-3,8H2,1H3,(H,14,15).
What are the key properties of N-cyano-4-(4-methylphenoxy)butanamide?
N-cyano-4-(4-methylphenoxy)butanamide has a molecular weight of 218.26 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 79195319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).