(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide

C20H30N2O3 — CID 100759844

IUPAC(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
SMILESCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1C#N
InChIInChI=1S/C20H30N2O3/c1-7-25-20(6,11-14(2)3)19(23)22-18-9-8-17(10-16(18)12-21)24-13-15(4)5/h8-10,14-15H,7,11,13H2,1-6H3,(H,22,23)/t20-/m0/s1
InChIKeyFRSHFXDLRUWFNF-FQEVSTJZSA-N
MW346.47 g/mol
LogP4.37
Rot. Bonds9

About (2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide

(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide (PubChem CID 100759844) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
PubChem CID100759844
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
SMILESCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1C#N
InChIInChI=1S/C20H30N2O3/c1-7-25-20(6,11-14(2)3)19(23)22-18-9-8-17(10-16(18)12-21)24-13-15(4)5/h8-10,14-15H,7,11,13H2,1-6H3,(H,22,23)/t20-/m0/s1
InChIKeyFRSHFXDLRUWFNF-FQEVSTJZSA-N
XLogP4.37
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 133230037
(2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100764757
(2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100753360
(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 100752858
(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide
CID 100763601
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide
CID 133204049
N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide
CID 133229996
(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100766555
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100754614
[3-cyano-4-[[(2S)-2,4-dimethyl-2-propoxypentanoyl]amino]phenyl] acetate
CID 100764800
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
CID 133229957
N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 133230069

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide?
The IUPAC name of (2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide (CID 100759844) is (2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide.
What is the SMILES notation for (2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide?
The canonical SMILES for (2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide is CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1C#N.
What is the InChIKey of (2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide?
The InChIKey is FRSHFXDLRUWFNF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-7-25-20(6,11-14(2)3)19(23)22-18-9-8-17(10-16(18)12-21)24-13-15(4)5/h8-10,14-15H,7,11,13H2,1-6H3,(H,22,23)/t20-/m0/s1.
What are the key properties of (2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide?
(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide has a molecular weight of 346.47 g/mol, XLogP of 4.37, 9 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-ethoxy-2,4-dimethylpentanamide is sourced from PubChem (CID 100759844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).