(2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide

C22H34N2O4 — CID 100726789

IUPAC(2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide
SMILESCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H34N2O4/c1-4-6-14-22(3,28-5-2)21(26)23-18-10-12-19(13-11-18)27-17-20(25)24-15-8-7-9-16-24/h10-13H,4-9,14-17H2,1-3H3,(H,23,26)/t22-/m0/s1
InChIKeyJZJXFCYTXRCDEG-QFIPXVFZSA-N
MW390.52 g/mol
LogP4.00
Rot. Bonds10

About (2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide

(2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide (PubChem CID 100726789) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is (2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide
PubChem CID100726789
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name(2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide
SMILESCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H34N2O4/c1-4-6-14-22(3,28-5-2)21(26)23-18-10-12-19(13-11-18)27-17-20(25)24-15-8-7-9-16-24/h10-13H,4-9,14-17H2,1-3H3,(H,23,26)/t22-/m0/s1
InChIKeyJZJXFCYTXRCDEG-QFIPXVFZSA-N
XLogP4.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide
CID 100701546
(2S)-2-methoxy-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100697054
2-ethoxy-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanamide
CID 133246685
(2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide
CID 100737175
(2R)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-propoxyhexanamide
CID 100741579
(2S)-2-ethoxy-2-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]heptanamide
CID 100728392
(2R)-2-ethoxy-2-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]heptanamide
CID 100728383
2-ethoxy-4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100725803
2-ethoxy-2-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pentanamide
CID 133246624
(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100695273
(2S)-N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-methyl-2-propoxyhexanamide
CID 100741799
(2S)-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propoxyhexanamide
CID 100741866

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide?
The IUPAC name of (2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide (CID 100726789) is (2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide.
What is the SMILES notation for (2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide?
The canonical SMILES for (2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide is CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1.
What is the InChIKey of (2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide?
The InChIKey is JZJXFCYTXRCDEG-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-4-6-14-22(3,28-5-2)21(26)23-18-10-12-19(13-11-18)27-17-20(25)24-15-8-7-9-16-24/h10-13H,4-9,14-17H2,1-3H3,(H,23,26)/t22-/m0/s1.
What are the key properties of (2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide?
(2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide has a molecular weight of 390.52 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide is sourced from PubChem (CID 100726789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).