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

C24H40N2O3 — CID 100727279

IUPAC(2R)-2-ethoxy-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]hexanamide
SMILESCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1
InChIInChI=1S/C24H40N2O3/c1-5-7-16-24(4,29-6-2)23(27)25-21-12-14-22(15-13-21)28-19-10-18-26-17-9-8-11-20(26)3/h12-15,20H,5-11,16-19H2,1-4H3,(H,25,27)/t20-,24+/m0/s1
InChIKeyBKFREOASLTYGHN-GBXCKJPGSA-N
MW404.60 g/mol
LogP5.25
Rot. Bonds12

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

(2R)-2-ethoxy-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]hexanamide (PubChem CID 100727279) has the molecular formula C24H40N2O3 and a molecular weight of 404.60 g/mol. Its IUPAC name is (2R)-2-ethoxy-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]hexanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]hexanamide
PubChem CID100727279
Molecular FormulaC24H40N2O3
Molecular Weight404.60 g/mol
Exact Mass404.30
IUPAC Name(2R)-2-ethoxy-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]hexanamide
SMILESCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1
InChIInChI=1S/C24H40N2O3/c1-5-7-16-24(4,29-6-2)23(27)25-21-12-14-22(15-13-21)28-19-10-18-26-17-9-8-11-20(26)3/h12-15,20H,5-11,16-19H2,1-4H3,(H,25,27)/t20-,24+/m0/s1
InChIKeyBKFREOASLTYGHN-GBXCKJPGSA-N
XLogP5.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 55.25
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-ethoxy-2-methyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]heptanamide
CID 125061140
(2R)-2-methyl-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxyheptanamide
CID 125061186
(2R)-2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxyhexanamide
CID 100741736
(2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide
CID 100737614
(2R)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide
CID 100738867
2-ethoxy-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanamide
CID 133246685
2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide
CID 133246235
2-ethoxy-2-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pentanamide
CID 133246624
2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 100736402
(2S)-2-ethoxy-2-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]heptanamide
CID 100728392
(2R)-2-ethoxy-2-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]heptanamide
CID 100728383
(2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 125060316

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]hexanamide?
The IUPAC name of (2R)-2-ethoxy-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]hexanamide (CID 100727279) is (2R)-2-ethoxy-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]hexanamide.
What is the SMILES notation for (2R)-2-ethoxy-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]hexanamide?
The canonical SMILES for (2R)-2-ethoxy-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]hexanamide is CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1.
What is the InChIKey of (2R)-2-ethoxy-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]hexanamide?
The InChIKey is BKFREOASLTYGHN-GBXCKJPGSA-N. The full InChI is InChI=1S/C24H40N2O3/c1-5-7-16-24(4,29-6-2)23(27)25-21-12-14-22(15-13-21)28-19-10-18-26-17-9-8-11-20(26)3/h12-15,20H,5-11,16-19H2,1-4H3,(H,25,27)/t20-,24+/m0/s1.
What are the key properties of (2R)-2-ethoxy-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]hexanamide?
(2R)-2-ethoxy-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]hexanamide has a molecular weight of 404.60 g/mol, XLogP of 5.25, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]hexanamide is sourced from PubChem (CID 100727279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).