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

C25H40N2O4 — CID 100725803

IUPAC2-ethoxy-4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide
SMILESCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H40N2O4/c1-6-31-25(16-19(2)3,17-20(4)5)24(29)26-21-10-12-22(13-11-21)30-18-23(28)27-14-8-7-9-15-27/h10-13,19-20H,6-9,14-18H2,1-5H3,(H,26,29)
InChIKeyATULETHYHYZFEB-UHFFFAOYSA-N
MW432.61 g/mol
LogP4.88
Rot. Bonds11

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

2-ethoxy-4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide (PubChem CID 100725803) has the molecular formula C25H40N2O4 and a molecular weight of 432.61 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name2-ethoxy-4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide
PubChem CID100725803
Molecular FormulaC25H40N2O4
Molecular Weight432.61 g/mol
Exact Mass432.30
IUPAC Name2-ethoxy-4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide
SMILESCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H40N2O4/c1-6-31-25(16-19(2)3,17-20(4)5)24(29)26-21-10-12-22(13-11-21)30-18-23(28)27-14-8-7-9-15-27/h10-13,19-20H,6-9,14-18H2,1-5H3,(H,26,29)
InChIKeyATULETHYHYZFEB-UHFFFAOYSA-N
XLogP4.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide
CID 100740788
(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
2-ethoxy-4-methyl-N-[4-(2-methylpropoxy)phenyl]-2-(2-methylpropyl)pentanamide
CID 100725725
(2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide
CID 100726789
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100740929
4-methyl-2-(2-methylpropyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide
CID 100740852
2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide
CID 100725916
(2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide
CID 100737175
(2S)-2-methoxy-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100697054
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646
(2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide
CID 100701546

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide?
The IUPAC name of 2-ethoxy-4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide (CID 100725803) is 2-ethoxy-4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide.
What is the SMILES notation for 2-ethoxy-4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide?
The canonical SMILES for 2-ethoxy-4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide is CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-ethoxy-4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide?
The InChIKey is ATULETHYHYZFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O4/c1-6-31-25(16-19(2)3,17-20(4)5)24(29)26-21-10-12-22(13-11-21)30-18-23(28)27-14-8-7-9-15-27/h10-13,19-20H,6-9,14-18H2,1-5H3,(H,26,29).
What are the key properties of 2-ethoxy-4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide?
2-ethoxy-4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide has a molecular weight of 432.61 g/mol, XLogP of 4.88, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide is sourced from PubChem (CID 100725803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).