(2R)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide

C25H42N2O3 — CID 100738867

IUPAC(2R)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide
SMILESCCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1
InChIInChI=1S/C25H42N2O3/c1-6-17-30-25(5,19-20(2)3)24(28)26-22-11-13-23(14-12-22)29-18-9-16-27-15-8-7-10-21(27)4/h11-14,20-21H,6-10,15-19H2,1-5H3,(H,26,28)/t21-,25+/m0/s1
InChIKeyRKNOXLGCMMAZAD-SQJMNOBHSA-N
MW418.62 g/mol
LogP5.50
Rot. Bonds12

About (2R)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide

(2R)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide (PubChem CID 100738867) has the molecular formula C25H42N2O3 and a molecular weight of 418.62 g/mol. Its IUPAC name is (2R)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide.

Molecular Properties

Compound Name(2R)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide
PubChem CID100738867
Molecular FormulaC25H42N2O3
Molecular Weight418.62 g/mol
Exact Mass418.32
IUPAC Name(2R)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide
SMILESCCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1
InChIInChI=1S/C25H42N2O3/c1-6-17-30-25(5,19-20(2)3)24(28)26-22-11-13-23(14-12-22)29-18-9-16-27-15-8-7-10-21(27)4/h11-14,20-21H,6-10,15-19H2,1-5H3,(H,26,28)/t21-,25+/m0/s1
InChIKeyRKNOXLGCMMAZAD-SQJMNOBHSA-N
XLogP5.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.62
LogP ≤ 55.50
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

(2S)-2,4-dimethyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide
CID 125061163
(2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide
CID 100737614
(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
(2R)-2-ethoxy-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]hexanamide
CID 100727279
(2S)-2,4-dimethyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide
CID 125061203
2,4-dimethyl-2-propoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 133247011
2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 100736402
(2R)-2-ethoxy-2-methyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]heptanamide
CID 125061140
(2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 125060316
2-cyclopropyl-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypropanamide
CID 133246460
2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide
CID 133246235

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide?
The IUPAC name of (2R)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide (CID 100738867) is (2R)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide.
What is the SMILES notation for (2R)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide?
The canonical SMILES for (2R)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide is CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1.
What is the InChIKey of (2R)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide?
The InChIKey is RKNOXLGCMMAZAD-SQJMNOBHSA-N. The full InChI is InChI=1S/C25H42N2O3/c1-6-17-30-25(5,19-20(2)3)24(28)26-22-11-13-23(14-12-22)29-18-9-16-27-15-8-7-10-21(27)4/h11-14,20-21H,6-10,15-19H2,1-5H3,(H,26,28)/t21-,25+/m0/s1.
What are the key properties of (2R)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide?
(2R)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide has a molecular weight of 418.62 g/mol, XLogP of 5.50, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide is sourced from PubChem (CID 100738867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).