(2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide

C17H24N2O3 — CID 100753360

IUPAC(2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
SMILESCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)c(C#N)c1
InChIInChI=1S/C17H24N2O3/c1-6-22-14-7-8-15(13(9-14)11-18)19-16(20)17(4,21-5)10-12(2)3/h7-9,12H,6,10H2,1-5H3,(H,19,20)/t17-/m1/s1
InChIKeyNISGGOKWPOLAJV-QGZVFWFLSA-N
MW304.39 g/mol
LogP3.35
Rot. Bonds7

About (2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide

(2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide (PubChem CID 100753360) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
PubChem CID100753360
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
SMILESCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)c(C#N)c1
InChIInChI=1S/C17H24N2O3/c1-6-22-14-7-8-15(13(9-14)11-18)19-16(20)17(4,21-5)10-12(2)3/h7-9,12H,6,10H2,1-5H3,(H,19,20)/t17-/m1/s1
InChIKeyNISGGOKWPOLAJV-QGZVFWFLSA-N
XLogP3.35
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100759844
(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 100752858
(2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100764757
N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide
CID 133229996
N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 133230037
(2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide
CID 100752811
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100754614
[3-cyano-4-[[(2S)-2,4-dimethyl-2-propoxypentanoyl]amino]phenyl] acetate
CID 100764800
N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide
CID 133229825
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide
CID 133204049
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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide?
The IUPAC name of (2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide (CID 100753360) is (2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide.
What is the SMILES notation for (2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide?
The canonical SMILES for (2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide is CCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)c(C#N)c1.
What is the InChIKey of (2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide?
The InChIKey is NISGGOKWPOLAJV-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-6-22-14-7-8-15(13(9-14)11-18)19-16(20)17(4,21-5)10-12(2)3/h7-9,12H,6,10H2,1-5H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide?
(2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide has a molecular weight of 304.39 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide is sourced from PubChem (CID 100753360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).