N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide

C20H30N2O3 — CID 133230037

IUPACN-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
SMILESCCOC(C)(CC(C)C)C(=O)Nc1ccc(OC(C)CC)cc1C#N
InChIInChI=1S/C20H30N2O3/c1-7-15(5)25-17-9-10-18(16(11-17)13-21)22-19(23)20(6,24-8-2)12-14(3)4/h9-11,14-15H,7-8,12H2,1-6H3,(H,22,23)
InChIKeyCZKZGLFZMSTAQZ-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.52
Rot. Bonds9

About N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide

N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide (PubChem CID 133230037) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
PubChem CID133230037
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
SMILESCCOC(C)(CC(C)C)C(=O)Nc1ccc(OC(C)CC)cc1C#N
InChIInChI=1S/C20H30N2O3/c1-7-15(5)25-17-9-10-18(16(11-17)13-21)22-19(23)20(6,24-8-2)12-14(3)4/h9-11,14-15H,7-8,12H2,1-6H3,(H,22,23)
InChIKeyCZKZGLFZMSTAQZ-UHFFFAOYSA-N
XLogP4.52
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-2-ethoxy-2-methylheptanamide
CID 100761428
(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100759844
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2,2-dimethylpropanamide
CID 100751182
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2-methoxy-2-methylpropanamide
CID 100752326
N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-2-methoxy-2-methylpropanamide
CID 100752319
N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide
CID 133229825
(2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100764757
(2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100753360
N-(4-butan-2-yloxy-2-cyanophenyl)-2-methyl-2-propoxyheptanamide
CID 133205403
[3-cyano-4-[[(2S)-2,4-dimethyl-2-propoxypentanoyl]amino]phenyl] acetate
CID 100764800
N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide
CID 133229996
(2S)-N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100760195

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide?
The IUPAC name of N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide (CID 133230037) is N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide.
What is the SMILES notation for N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide?
The canonical SMILES for N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide is CCOC(C)(CC(C)C)C(=O)Nc1ccc(OC(C)CC)cc1C#N.
What is the InChIKey of N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide?
The InChIKey is CZKZGLFZMSTAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-7-15(5)25-17-9-10-18(16(11-17)13-21)22-19(23)20(6,24-8-2)12-14(3)4/h9-11,14-15H,7-8,12H2,1-6H3,(H,22,23).
What are the key properties of N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide?
N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide has a molecular weight of 346.47 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide is sourced from PubChem (CID 133230037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).