2-cyano-2-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide

C15H20N2O2 — CID 114291337

IUPAC2-cyano-2-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
SMILESCCC(C)(C#N)C(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C15H20N2O2/c1-4-15(3,11-16)14(18)17-8-9-19-13-7-5-6-12(2)10-13/h5-7,10H,4,8-9H2,1-3H3,(H,17,18)
InChIKeyBZWWYHQNKNGDDT-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.43
Rot. Bonds6

About 2-cyano-2-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide

2-cyano-2-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide (PubChem CID 114291337) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
PubChem CID114291337
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-cyano-2-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
SMILESCCC(C)(C#N)C(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C15H20N2O2/c1-4-15(3,11-16)14(18)17-8-9-19-13-7-5-6-12(2)10-13/h5-7,10H,4,8-9H2,1-3H3,(H,17,18)
InChIKeyBZWWYHQNKNGDDT-UHFFFAOYSA-N
XLogP2.43
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 31326707
1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969935
ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate
CID 47110276
N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 113100569
2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9457314
N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide
CID 62679121
2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
2,2-dimethyl-3-[2-(3-methylphenoxy)ethylamino]propanoic acid
CID 79624459
2,2-dimethyl-4-(3-methylphenoxy)butanenitrile
CID 65251929
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104852569

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide?
The IUPAC name of 2-cyano-2-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide (CID 114291337) is 2-cyano-2-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide?
The canonical SMILES for 2-cyano-2-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide is CCC(C)(C#N)C(=O)NCCOc1cccc(C)c1.
What is the InChIKey of 2-cyano-2-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide?
The InChIKey is BZWWYHQNKNGDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-15(3,11-16)14(18)17-8-9-19-13-7-5-6-12(2)10-13/h5-7,10H,4,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-cyano-2-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide?
2-cyano-2-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide has a molecular weight of 260.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide is sourced from PubChem (CID 114291337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).