(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide

C17H24N2O3 — CID 100752858

IUPAC(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide
SMILESCC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)cc1C#N
InChIInChI=1S/C17H24N2O3/c1-6-17(4,21-5)16(20)19-15-8-7-14(9-13(15)10-18)22-11-12(2)3/h7-9,12H,6,11H2,1-5H3,(H,19,20)/t17-/m0/s1
InChIKeyIMGWETITBIPIOS-KRWDZBQOSA-N
MW304.39 g/mol
LogP3.35
Rot. Bonds7

About (2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide

(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide (PubChem CID 100752858) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide
PubChem CID100752858
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide
SMILESCC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)cc1C#N
InChIInChI=1S/C17H24N2O3/c1-6-17(4,21-5)16(20)19-15-8-7-14(9-13(15)10-18)22-11-12(2)3/h7-9,12H,6,11H2,1-5H3,(H,19,20)/t17-/m0/s1
InChIKeyIMGWETITBIPIOS-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-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide
CID 133204049
(2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide
CID 100752811
(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-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100754614
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
CID 133229957
(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100766555
N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide
CID 133229996
(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide
CID 100763601
N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide
CID 133229825
(2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100764757
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2-methoxy-2-methylpropanamide
CID 100752326

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide?
The IUPAC name of (2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide (CID 100752858) is (2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide.
What is the SMILES notation for (2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide?
The canonical SMILES for (2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide is CC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)cc1C#N.
What is the InChIKey of (2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide?
The InChIKey is IMGWETITBIPIOS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-6-17(4,21-5)16(20)19-15-8-7-14(9-13(15)10-18)22-11-12(2)3/h7-9,12H,6,11H2,1-5H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide?
(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide 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-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide is sourced from PubChem (CID 100752858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).