(2R)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-propoxyhexanamide

C22H34N2O5 — CID 100741579

IUPAC(2R)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-propoxyhexanamide
SMILESCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H34N2O5/c1-4-6-11-22(3,29-14-5-2)21(26)23-18-7-9-19(10-8-18)28-17-20(25)24-12-15-27-16-13-24/h7-10H,4-6,11-17H2,1-3H3,(H,23,26)/t22-/m1/s1
InChIKeyMVYAVQMOICPLCL-JOCHJYFZSA-N
MW406.52 g/mol
LogP3.24
Rot. Bonds11

About (2R)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-propoxyhexanamide

(2R)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-propoxyhexanamide (PubChem CID 100741579) has the molecular formula C22H34N2O5 and a molecular weight of 406.52 g/mol. Its IUPAC name is (2R)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-propoxyhexanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-propoxyhexanamide
PubChem CID100741579
Molecular FormulaC22H34N2O5
Molecular Weight406.52 g/mol
Exact Mass406.25
IUPAC Name(2R)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-propoxyhexanamide
SMILESCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H34N2O5/c1-4-6-11-22(3,29-14-5-2)21(26)23-18-7-9-19(10-8-18)28-17-20(25)24-12-15-27-16-13-24/h7-10H,4-6,11-17H2,1-3H3,(H,23,26)/t22-/m1/s1
InChIKeyMVYAVQMOICPLCL-JOCHJYFZSA-N
XLogP3.24
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide
CID 100726789
(2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide
CID 100737175
(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide
CID 100741376
(2S)-2-methoxy-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100697054
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
(2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide
CID 100701546
(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
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
(2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide
CID 100700350
methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381
(2S)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanamide
CID 100743201

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-propoxyhexanamide?
The IUPAC name of (2R)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-propoxyhexanamide (CID 100741579) is (2R)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-propoxyhexanamide.
What is the SMILES notation for (2R)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-propoxyhexanamide?
The canonical SMILES for (2R)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-propoxyhexanamide is CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of (2R)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-propoxyhexanamide?
The InChIKey is MVYAVQMOICPLCL-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H34N2O5/c1-4-6-11-22(3,29-14-5-2)21(26)23-18-7-9-19(10-8-18)28-17-20(25)24-12-15-27-16-13-24/h7-10H,4-6,11-17H2,1-3H3,(H,23,26)/t22-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-propoxyhexanamide?
(2R)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-propoxyhexanamide has a molecular weight of 406.52 g/mol, XLogP of 3.24, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-propoxyhexanamide is sourced from PubChem (CID 100741579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).