2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide

C21H34N2O3 — CID 133245908

IUPAC2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
SMILESCOC(C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C21H34N2O3/c1-17(2)16-21(3,25-4)20(24)22-18-8-10-19(11-9-18)26-15-14-23-12-6-5-7-13-23/h8-11,17H,5-7,12-16H2,1-4H3,(H,22,24)
InChIKeyHLRJJZQWAICZIO-UHFFFAOYSA-N
MW362.51 g/mol
LogP3.94
Rot. Bonds9

About 2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide

2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide (PubChem CID 133245908) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
PubChem CID133245908
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
SMILESCOC(C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C21H34N2O3/c1-17(2)16-21(3,25-4)20(24)22-18-8-10-19(11-9-18)26-15-14-23-12-6-5-7-13-23/h8-11,17H,5-7,12-16H2,1-4H3,(H,22,24)
InChIKeyHLRJJZQWAICZIO-UHFFFAOYSA-N
XLogP3.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 133245923
2,4-dimethyl-2-propoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 133247011
(2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100697324
(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-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
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
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 100695331
N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2-methylpropanamide
CID 100692930
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 133167161
(2S)-2-methoxy-2-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanamide
CID 100701949

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide?
The IUPAC name of 2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide (CID 133245908) is 2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide.
What is the SMILES notation for 2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide?
The canonical SMILES for 2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide is COC(C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide?
The InChIKey is HLRJJZQWAICZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-17(2)16-21(3,25-4)20(24)22-18-8-10-19(11-9-18)26-15-14-23-12-6-5-7-13-23/h8-11,17H,5-7,12-16H2,1-4H3,(H,22,24).
What are the key properties of 2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide?
2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide has a molecular weight of 362.51 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide is sourced from PubChem (CID 133245908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).