N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide

C16H22N2O2 — CID 100751118

IUPACN-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)COc1ccc(NC(=O)C(C)(C)C)cc1C#N
InChIInChI=1S/C16H22N2O2/c1-11(2)10-20-14-7-6-13(8-12(14)9-17)18-15(19)16(3,4)5/h6-8,11H,10H2,1-5H3,(H,18,19)
InChIKeyLZGZBOIUEJDVDK-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.58
Rot. Bonds4

About N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide

N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide (PubChem CID 100751118) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide
PubChem CID100751118
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)COc1ccc(NC(=O)C(C)(C)C)cc1C#N
InChIInChI=1S/C16H22N2O2/c1-11(2)10-20-14-7-6-13(8-12(14)9-17)18-15(19)16(3,4)5/h6-8,11H,10H2,1-5H3,(H,18,19)
InChIKeyLZGZBOIUEJDVDK-UHFFFAOYSA-N
XLogP3.58
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
CID 100758108
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide
CID 133204118
(2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100764728
(2S)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100764723
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 133229857
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
CID 133205492
N-[3-cyano-4-(2-methylpropoxy)phenyl]-1-methoxycyclohexane-1-carboxamide
CID 100756310
N-(4-butoxy-3-cyanophenyl)-2-methoxy-2,4-dimethylpentanamide
CID 133229739
N-(3-cyano-4-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 100750476
(2R)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100759539
(2S)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100759542
(2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide
CID 100764215

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide (CID 100751118) is N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide is CC(C)COc1ccc(NC(=O)C(C)(C)C)cc1C#N.
What is the InChIKey of N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide?
The InChIKey is LZGZBOIUEJDVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)10-20-14-7-6-13(8-12(14)9-17)18-15(19)16(3,4)5/h6-8,11H,10H2,1-5H3,(H,18,19).
What are the key properties of N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide?
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide has a molecular weight of 274.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 100751118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).