(2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide

C17H24N2O3 — CID 100765089

IUPAC(2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide
SMILESCCCO[C@@](C)(CCC)C(=O)Nc1ccc(OC)cc1C#N
InChIInChI=1S/C17H24N2O3/c1-5-9-17(3,22-10-6-2)16(20)19-15-8-7-14(21-4)11-13(15)12-18/h7-8,11H,5-6,9-10H2,1-4H3,(H,19,20)/t17-/m0/s1
InChIKeyYACBEKLWCUXCMK-KRWDZBQOSA-N
MW304.39 g/mol
LogP3.49
Rot. Bonds8

About (2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide

(2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide (PubChem CID 100765089) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide.

Molecular Properties

Compound Name(2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide
PubChem CID100765089
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide
SMILESCCCO[C@@](C)(CCC)C(=O)Nc1ccc(OC)cc1C#N
InChIInChI=1S/C17H24N2O3/c1-5-9-17(3,22-10-6-2)16(20)19-15-8-7-14(21-4)11-13(15)12-18/h7-8,11H,5-6,9-10H2,1-4H3,(H,19,20)/t17-/m0/s1
InChIKeyYACBEKLWCUXCMK-KRWDZBQOSA-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

(2R)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
CID 100765993
(2S)-N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100760195
N-(2-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 133230069
[3-cyano-4-[[(2S)-2-methyl-2-propoxypentanoyl]amino]phenyl] acetate
CID 100765356
N-(4-butoxy-2-cyanophenyl)-2-methyl-2-propoxyhexanamide
CID 133205364
N-(4-butan-2-yloxy-2-cyanophenyl)-2-methyl-2-propoxyheptanamide
CID 133205403
(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100766555
(2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100764757
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide
CID 133204049
[3-cyano-4-[[(2S)-2,4-dimethyl-2-propoxypentanoyl]amino]phenyl] acetate
CID 100764800
(2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide
CID 100752811
N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
CID 133205355

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide?
The IUPAC name of (2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide (CID 100765089) is (2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide.
What is the SMILES notation for (2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide?
The canonical SMILES for (2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide is CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OC)cc1C#N.
What is the InChIKey of (2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide?
The InChIKey is YACBEKLWCUXCMK-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-5-9-17(3,22-10-6-2)16(20)19-15-8-7-14(21-4)11-13(15)12-18/h7-8,11H,5-6,9-10H2,1-4H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide?
(2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide 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 (2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide is sourced from PubChem (CID 100765089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).