(2R)-2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxyheptanamide

C26H44N2O3 — CID 100711600

IUPAC(2R)-2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxyheptanamide
SMILESCCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1
InChIInChI=1S/C26H44N2O3/c1-5-7-8-16-26(4,31-20-6-2)25(29)27-23-10-12-24(13-11-23)30-21-9-17-28-18-14-22(3)15-19-28/h10-13,22H,5-9,14-21H2,1-4H3,(H,27,29)/t26-/m1/s1
InChIKeyGAMGZEYZJKKICL-AREMUKBSSA-N
MW432.65 g/mol
LogP5.89
Rot. Bonds14

About (2R)-2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxyheptanamide

(2R)-2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxyheptanamide (PubChem CID 100711600) has the molecular formula C26H44N2O3 and a molecular weight of 432.65 g/mol. Its IUPAC name is (2R)-2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxyheptanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxyheptanamide
PubChem CID100711600
Molecular FormulaC26H44N2O3
Molecular Weight432.65 g/mol
Exact Mass432.34
IUPAC Name(2R)-2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxyheptanamide
SMILESCCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1
InChIInChI=1S/C26H44N2O3/c1-5-7-8-16-26(4,31-20-6-2)25(29)27-23-10-12-24(13-11-23)30-21-9-17-28-18-14-22(3)15-19-28/h10-13,22H,5-9,14-21H2,1-4H3,(H,27,29)/t26-/m1/s1
InChIKeyGAMGZEYZJKKICL-AREMUKBSSA-N
XLogP5.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.65
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxyheptanamide
CID 100743056
(2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypentanamide
CID 100739818
(2S)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanamide
CID 100743201
2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxypropanamide
CID 100736524
(2S)-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propoxyhexanamide
CID 100741866
(2R)-2-methyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxyhexanamide
CID 125060325
(2R)-2-methyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide
CID 125060699
(2R)-2-methyl-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxyheptanamide
CID 125061186
2-methyl-N-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxypentanamide
CID 133247084
(2S)-N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-methyl-2-propoxyhexanamide
CID 100741799
(2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide
CID 100737524
(2S)-2-methoxy-2-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanamide
CID 100701949

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxyheptanamide?
The IUPAC name of (2R)-2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxyheptanamide (CID 100711600) is (2R)-2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxyheptanamide.
What is the SMILES notation for (2R)-2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxyheptanamide?
The canonical SMILES for (2R)-2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxyheptanamide is CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1.
What is the InChIKey of (2R)-2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxyheptanamide?
The InChIKey is GAMGZEYZJKKICL-AREMUKBSSA-N. The full InChI is InChI=1S/C26H44N2O3/c1-5-7-8-16-26(4,31-20-6-2)25(29)27-23-10-12-24(13-11-23)30-21-9-17-28-18-14-22(3)15-19-28/h10-13,22H,5-9,14-21H2,1-4H3,(H,27,29)/t26-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxyheptanamide?
(2R)-2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxyheptanamide has a molecular weight of 432.65 g/mol, XLogP of 5.89, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxyheptanamide is sourced from PubChem (CID 100711600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).