(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide

C17H24N2O3 — CID 100759496

IUPAC(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
SMILESCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(C#N)c1
InChIInChI=1S/C17H24N2O3/c1-6-22-17(4,10-12(2)3)16(20)19-14-7-8-15(21-5)13(9-14)11-18/h7-9,12H,6,10H2,1-5H3,(H,19,20)/t17-/m0/s1
InChIKeySFDFLNHCFWPXDG-KRWDZBQOSA-N
MW304.39 g/mol
LogP3.35
Rot. Bonds7

About (2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide

(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide (PubChem CID 100759496) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
PubChem CID100759496
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
SMILESCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(C#N)c1
InChIInChI=1S/C17H24N2O3/c1-6-22-17(4,10-12(2)3)16(20)19-14-7-8-15(21-5)13(9-14)11-18/h7-9,12H,6,10H2,1-5H3,(H,19,20)/t17-/m0/s1
InChIKeySFDFLNHCFWPXDG-KRWDZBQOSA-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

N-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 133230029
(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
(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100760136
(2R)-2-ethoxy-N-(4-methoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 100723689
methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate
CID 100759329
(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-(4-butoxy-3-cyanophenyl)-2-methoxy-2,4-dimethylpentanamide
CID 133229739
N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
CID 133205355
2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 133246576
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100723785

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide?
The IUPAC name of (2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide (CID 100759496) is (2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide.
What is the SMILES notation for (2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide?
The canonical SMILES for (2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide is CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(C#N)c1.
What is the InChIKey of (2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide?
The InChIKey is SFDFLNHCFWPXDG-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-6-22-17(4,10-12(2)3)16(20)19-14-7-8-15(21-5)13(9-14)11-18/h7-9,12H,6,10H2,1-5H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide?
(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-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 (2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide is sourced from PubChem (CID 100759496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).