(2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide

C20H30N2O3 — CID 100764757

IUPAC(2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide
SMILESCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)c(C#N)c1
InChIInChI=1S/C20H30N2O3/c1-6-10-24-17-8-9-18(16(12-17)14-21)22-19(23)20(5,13-15(3)4)25-11-7-2/h8-9,12,15H,6-7,10-11,13H2,1-5H3,(H,22,23)/t20-/m0/s1
InChIKeyRFWMGHGSDVOQHW-FQEVSTJZSA-N
MW346.47 g/mol
LogP4.52
Rot. Bonds10

About (2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide

(2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide (PubChem CID 100764757) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide.

Molecular Properties

Compound Name(2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide
PubChem CID100764757
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide
SMILESCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)c(C#N)c1
InChIInChI=1S/C20H30N2O3/c1-6-10-24-17-8-9-18(16(12-17)14-21)22-19(23)20(5,13-15(3)4)25-11-7-2/h8-9,12,15H,6-7,10-11,13H2,1-5H3,(H,22,23)/t20-/m0/s1
InChIKeyRFWMGHGSDVOQHW-FQEVSTJZSA-N
XLogP4.52
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-cyano-4-[[(2S)-2,4-dimethyl-2-propoxypentanoyl]amino]phenyl] acetate
CID 100764800
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide
CID 133204049
N-(4-butoxy-2-cyanophenyl)-2-methyl-2-propoxyhexanamide
CID 133205364
(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100759844
(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100766555
(2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100753360
N-(4-butan-2-yloxy-2-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 133230037
(2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide
CID 100765089
N-(4-butan-2-yloxy-2-cyanophenyl)-2-methyl-2-propoxyheptanamide
CID 133205403
(2R)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
CID 100765993
(2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide
CID 100752811
[3-cyano-4-[[(2S)-2-methyl-2-propoxypentanoyl]amino]phenyl] acetate
CID 100765356

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide?
The IUPAC name of (2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide (CID 100764757) is (2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide.
What is the SMILES notation for (2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide?
The canonical SMILES for (2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide is CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)c(C#N)c1.
What is the InChIKey of (2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide?
The InChIKey is RFWMGHGSDVOQHW-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-6-10-24-17-8-9-18(16(12-17)14-21)22-19(23)20(5,13-15(3)4)25-11-7-2/h8-9,12,15H,6-7,10-11,13H2,1-5H3,(H,22,23)/t20-/m0/s1.
What are the key properties of (2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide?
(2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide has a molecular weight of 346.47 g/mol, XLogP of 4.52, 10 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-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide is sourced from PubChem (CID 100764757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).