N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide

C16H22N2O3 — CID 133229996

IUPACN-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide
SMILESCCOc1ccc(NC(=O)C(C)(CC)OCC)c(C#N)c1
InChIInChI=1S/C16H22N2O3/c1-5-16(4,21-7-3)15(19)18-14-9-8-13(20-6-2)10-12(14)11-17/h8-10H,5-7H2,1-4H3,(H,18,19)
InChIKeyMMAZSKSJOXWZME-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.10
Rot. Bonds7

About N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide

N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide (PubChem CID 133229996) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide
PubChem CID133229996
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide
SMILESCCOc1ccc(NC(=O)C(C)(CC)OCC)c(C#N)c1
InChIInChI=1S/C16H22N2O3/c1-5-16(4,21-7-3)15(19)18-14-9-8-13(20-6-2)10-12(14)11-17/h8-10H,5-7H2,1-4H3,(H,18,19)
InChIKeyMMAZSKSJOXWZME-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-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100759844
(2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100753360
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide
CID 133204049
(2S)-N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100760195
(2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide
CID 100752811
N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 133230069
(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 100752858
N-(2-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205494
N-(4-butoxy-2-cyanophenyl)-2-methyl-2-propoxyhexanamide
CID 133205364
N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 133230037
(2R)-N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-2-ethoxy-2-methylheptanamide
CID 100761428
(2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100764757

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide?
The IUPAC name of N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide (CID 133229996) is N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide.
What is the SMILES notation for N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide?
The canonical SMILES for N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide is CCOc1ccc(NC(=O)C(C)(CC)OCC)c(C#N)c1.
What is the InChIKey of N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide?
The InChIKey is MMAZSKSJOXWZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-5-16(4,21-7-3)15(19)18-14-9-8-13(20-6-2)10-12(14)11-17/h8-10H,5-7H2,1-4H3,(H,18,19).
What are the key properties of N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide?
N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide 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-ethoxyphenyl)-2-ethoxy-2-methylbutanamide is sourced from PubChem (CID 133229996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).