(2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide

C17H24N2O3 — CID 100764215

IUPAC(2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide
SMILESCCCO[C@](C)(CC)C(=O)Nc1ccc(OCC)c(C#N)c1
InChIInChI=1S/C17H24N2O3/c1-5-10-22-17(4,6-2)16(20)19-14-8-9-15(21-7-3)13(11-14)12-18/h8-9,11H,5-7,10H2,1-4H3,(H,19,20)/t17-/m1/s1
InChIKeyVDUOWWJJFFLLHA-QGZVFWFLSA-N
MW304.39 g/mol
LogP3.49
Rot. Bonds8

About (2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide

(2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide (PubChem CID 100764215) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide.

Molecular Properties

Compound Name(2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide
PubChem CID100764215
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide
SMILESCCCO[C@](C)(CC)C(=O)Nc1ccc(OCC)c(C#N)c1
InChIInChI=1S/C17H24N2O3/c1-5-10-22-17(4,6-2)16(20)19-14-8-9-15(21-7-3)13(11-14)12-18/h8-9,11H,5-7,10H2,1-4H3,(H,19,20)/t17-/m1/s1
InChIKeyVDUOWWJJFFLLHA-QGZVFWFLSA-N
XLogP3.49
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-cyano-4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenyl] acetate
CID 100764380
N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
CID 133205355
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide
CID 133204118
(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
(2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide
CID 100763997
N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
CID 133205393
(2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide
CID 100760858
N-(4-butoxy-3-cyanophenyl)-2-methyl-2-propoxypropanamide
CID 100763865
(2S)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2-methylheptanamide
CID 100761338
ethyl 2-ethoxy-5-[[(2R)-2-methyl-2-propoxybutanoyl]amino]benzoate
CID 100764118
N-(3-cyano-4-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 100750476

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide?
The IUPAC name of (2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide (CID 100764215) is (2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide.
What is the SMILES notation for (2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide?
The canonical SMILES for (2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide is CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC)c(C#N)c1.
What is the InChIKey of (2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide?
The InChIKey is VDUOWWJJFFLLHA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-5-10-22-17(4,6-2)16(20)19-14-8-9-15(21-7-3)13(11-14)12-18/h8-9,11H,5-7,10H2,1-4H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide?
(2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide has a molecular weight of 304.39 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide is sourced from PubChem (CID 100764215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).