N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide

C16H22N2O3 — CID 133230069

IUPACN-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
SMILESCCCC(C)(OCC)C(=O)Nc1ccc(OC)cc1C#N
InChIInChI=1S/C16H22N2O3/c1-5-9-16(3,21-6-2)15(19)18-14-8-7-13(20-4)10-12(14)11-17/h7-8,10H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyRWFDAHJXRWMOHE-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.10
Rot. Bonds7

About N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide

N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide (PubChem CID 133230069) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide.

Molecular Properties

Compound NameN-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
PubChem CID133230069
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
SMILESCCCC(C)(OCC)C(=O)Nc1ccc(OC)cc1C#N
InChIInChI=1S/C16H22N2O3/c1-5-9-16(3,21-6-2)15(19)18-14-8-7-13(20-4)10-12(14)11-17/h7-8,10H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyRWFDAHJXRWMOHE-UHFFFAOYSA-N
XLogP3.10
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100760195
(2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide
CID 100765089
(2R)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
CID 100765993
N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide
CID 133229996
[3-cyano-4-[[(2S)-2-methyl-2-propoxypentanoyl]amino]phenyl] acetate
CID 100765356
(2R)-N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-2-ethoxy-2-methylheptanamide
CID 100761428
N-(4-butoxy-2-cyanophenyl)-2-methyl-2-propoxyhexanamide
CID 133205364
(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100760136
N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 133230037
(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100759844
(2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide
CID 100752811
N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide
CID 133229825

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide?
The IUPAC name of N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide (CID 133230069) is N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide.
What is the SMILES notation for N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide?
The canonical SMILES for N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide is CCCC(C)(OCC)C(=O)Nc1ccc(OC)cc1C#N.
What is the InChIKey of N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide?
The InChIKey is RWFDAHJXRWMOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-5-9-16(3,21-6-2)15(19)18-14-8-7-13(20-4)10-12(14)11-17/h7-8,10H,5-6,9H2,1-4H3,(H,18,19).
What are the key properties of N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide?
N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide has a molecular weight of 290.36 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide is sourced from PubChem (CID 133230069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).