4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide

C26H42N2O4 — CID 100740788

IUPAC4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide
SMILESCCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H42N2O4/c1-6-16-32-26(17-20(2)3,18-21(4)5)25(30)27-22-10-12-23(13-11-22)31-19-24(29)28-14-8-7-9-15-28/h10-13,20-21H,6-9,14-19H2,1-5H3,(H,27,30)
InChIKeyUQXUYTLPFOSCDA-UHFFFAOYSA-N
MW446.63 g/mol
LogP5.27
Rot. Bonds12

About 4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide

4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide (PubChem CID 100740788) has the molecular formula C26H42N2O4 and a molecular weight of 446.63 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide
PubChem CID100740788
Molecular FormulaC26H42N2O4
Molecular Weight446.63 g/mol
Exact Mass446.31
IUPAC Name4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide
SMILESCCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H42N2O4/c1-6-16-32-26(17-20(2)3,18-21(4)5)25(30)27-22-10-12-23(13-11-22)31-19-24(29)28-14-8-7-9-15-28/h10-13,20-21H,6-9,14-19H2,1-5H3,(H,27,30)
InChIKeyUQXUYTLPFOSCDA-UHFFFAOYSA-N
XLogP5.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.63
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100725803
4-methyl-2-(2-methylpropyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide
CID 100740852
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100740929
(2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide
CID 100737175
(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100695273
(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100695248
(2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide
CID 100726789
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
(2S)-2-methoxy-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100697054
(2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide
CID 100701546
(2R)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-propoxyhexanamide
CID 100741579
2,4-dimethyl-2-propoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 133247011

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide?
The IUPAC name of 4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide (CID 100740788) is 4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide is CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide?
The InChIKey is UQXUYTLPFOSCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O4/c1-6-16-32-26(17-20(2)3,18-21(4)5)25(30)27-22-10-12-23(13-11-22)31-19-24(29)28-14-8-7-9-15-28/h10-13,20-21H,6-9,14-19H2,1-5H3,(H,27,30).
What are the key properties of 4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide?
4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide has a molecular weight of 446.63 g/mol, XLogP of 5.27, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide is sourced from PubChem (CID 100740788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).