(2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide

C17H24N2O3 — CID 100752811

IUPAC(2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide
SMILESCCCCOc1ccc(NC(=O)[C@@](C)(CC)OC)c(C#N)c1
InChIInChI=1S/C17H24N2O3/c1-5-7-10-22-14-8-9-15(13(11-14)12-18)19-16(20)17(3,6-2)21-4/h8-9,11H,5-7,10H2,1-4H3,(H,19,20)/t17-/m1/s1
InChIKeyIYQZDYYYQPMMJP-QGZVFWFLSA-N
MW304.39 g/mol
LogP3.49
Rot. Bonds8

About (2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide

(2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide (PubChem CID 100752811) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide
PubChem CID100752811
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide
SMILESCCCCOc1ccc(NC(=O)[C@@](C)(CC)OC)c(C#N)c1
InChIInChI=1S/C17H24N2O3/c1-5-7-10-22-14-8-9-15(13(11-14)12-18)19-16(20)17(3,6-2)21-4/h8-9,11H,5-7,10H2,1-4H3,(H,19,20)/t17-/m1/s1
InChIKeyIYQZDYYYQPMMJP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 100752858
N-(4-butoxy-2-cyanophenyl)-2-methyl-2-propoxyhexanamide
CID 133205364
N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide
CID 133229996
N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide
CID 133229825
(2R)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
CID 100765993
(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-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100764757
(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100766555
N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide
CID 133245858
(2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide
CID 100765089
N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 133230069

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide?
The IUPAC name of (2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide (CID 100752811) is (2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide.
What is the SMILES notation for (2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide?
The canonical SMILES for (2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide is CCCCOc1ccc(NC(=O)[C@@](C)(CC)OC)c(C#N)c1.
What is the InChIKey of (2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide?
The InChIKey is IYQZDYYYQPMMJP-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-5-7-10-22-14-8-9-15(13(11-14)12-18)19-16(20)17(3,6-2)21-4/h8-9,11H,5-7,10H2,1-4H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide?
(2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide 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-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide is sourced from PubChem (CID 100752811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).