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

C26H44N2O3 — CID 100740852

IUPAC4-methyl-2-(2-methylpropyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide
SMILESCCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C26H44N2O3/c1-6-17-31-26(19-21(2)3,20-22(4)5)25(29)27-23-10-12-24(13-11-23)30-18-16-28-14-8-7-9-15-28/h10-13,21-22H,6-9,14-20H2,1-5H3,(H,27,29)
InChIKeyLBEZMBKQXFCGDM-UHFFFAOYSA-N
MW432.65 g/mol
LogP5.75
Rot. Bonds13

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

4-methyl-2-(2-methylpropyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide (PubChem CID 100740852) has the molecular formula C26H44N2O3 and a molecular weight of 432.65 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide
PubChem CID100740852
Molecular FormulaC26H44N2O3
Molecular Weight432.65 g/mol
Exact Mass432.34
IUPAC Name4-methyl-2-(2-methylpropyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide
SMILESCCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C26H44N2O3/c1-6-17-31-26(19-21(2)3,20-22(4)5)25(29)27-23-10-12-24(13-11-23)30-18-16-28-14-8-7-9-15-28/h10-13,21-22H,6-9,14-20H2,1-5H3,(H,27,29)
InChIKeyLBEZMBKQXFCGDM-UHFFFAOYSA-N
XLogP5.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.65
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100740929
2,4-dimethyl-2-propoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 133247011
4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide
CID 100740788
2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide
CID 100725916
2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 133245908
(2S)-N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-methyl-2-propoxyhexanamide
CID 100741799
(2R)-2-methyl-2-propoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100739757
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2,2,2-trichloroacetamide
CID 100689409
2-ethoxy-4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100725803
N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 133245923
(2S)-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propoxyhexanamide
CID 100741866
(2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide
CID 100737524

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide?
The IUPAC name of 4-methyl-2-(2-methylpropyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide (CID 100740852) is 4-methyl-2-(2-methylpropyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide is CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide?
The InChIKey is LBEZMBKQXFCGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2O3/c1-6-17-31-26(19-21(2)3,20-22(4)5)25(29)27-23-10-12-24(13-11-23)30-18-16-28-14-8-7-9-15-28/h10-13,21-22H,6-9,14-20H2,1-5H3,(H,27,29).
What are the key properties of 4-methyl-2-(2-methylpropyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide?
4-methyl-2-(2-methylpropyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide has a molecular weight of 432.65 g/mol, XLogP of 5.75, 13 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-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide is sourced from PubChem (CID 100740852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).