(2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide

C22H34N2O4 — CID 100701546

IUPAC(2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide
SMILESCCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H34N2O4/c1-4-5-7-14-22(2,27-3)21(26)23-18-10-12-19(13-11-18)28-17-20(25)24-15-8-6-9-16-24/h10-13H,4-9,14-17H2,1-3H3,(H,23,26)/t22-/m1/s1
InChIKeyIKOLOXWHSWSTNX-JOCHJYFZSA-N
MW390.52 g/mol
LogP4.00
Rot. Bonds10

About (2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide

(2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide (PubChem CID 100701546) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is (2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide.

Molecular Properties

Compound Name(2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide
PubChem CID100701546
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name(2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide
SMILESCCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H34N2O4/c1-4-5-7-14-22(2,27-3)21(26)23-18-10-12-19(13-11-18)28-17-20(25)24-15-8-6-9-16-24/h10-13H,4-9,14-17H2,1-3H3,(H,23,26)/t22-/m1/s1
InChIKeyIKOLOXWHSWSTNX-JOCHJYFZSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-methoxy-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100697054
(2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide
CID 100726789
(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100695273
(2R)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]heptanamide
CID 100701698
(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100695248
(2S)-2-methoxy-2-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanamide
CID 100701949
(2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 100701491
(2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide
CID 100737175
(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
CID 100701232
(2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
CID 100708900
(2R)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-propoxyhexanamide
CID 100741579
(2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100697324

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide?
The IUPAC name of (2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide (CID 100701546) is (2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide.
What is the SMILES notation for (2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide?
The canonical SMILES for (2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide is CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1.
What is the InChIKey of (2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide?
The InChIKey is IKOLOXWHSWSTNX-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-4-5-7-14-22(2,27-3)21(26)23-18-10-12-19(13-11-18)28-17-20(25)24-15-8-6-9-16-24/h10-13H,4-9,14-17H2,1-3H3,(H,23,26)/t22-/m1/s1.
What are the key properties of (2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide?
(2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide 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 (2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide is sourced from PubChem (CID 100701546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).