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

C23H38N2O3 — CID 100737614

IUPAC(2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide
SMILESCCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1
InChIInChI=1S/C23H38N2O3/c1-5-17-28-23(4,6-2)22(26)24-20-11-13-21(14-12-20)27-18-9-16-25-15-8-7-10-19(25)3/h11-14,19H,5-10,15-18H2,1-4H3,(H,24,26)/t19-,23-/m0/s1
InChIKeyBFZAJVMNDAMSDN-CVDCTZTESA-N
MW390.57 g/mol
LogP4.86
Rot. Bonds11

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

(2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide (PubChem CID 100737614) has the molecular formula C23H38N2O3 and a molecular weight of 390.57 g/mol. Its IUPAC name is (2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide
PubChem CID100737614
Molecular FormulaC23H38N2O3
Molecular Weight390.57 g/mol
Exact Mass390.29
IUPAC Name(2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide
SMILESCCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1
InChIInChI=1S/C23H38N2O3/c1-5-17-28-23(4,6-2)22(26)24-20-11-13-21(14-12-20)27-18-9-16-25-15-8-7-10-19(25)3/h11-14,19H,5-10,15-18H2,1-4H3,(H,24,26)/t19-,23-/m0/s1
InChIKeyBFZAJVMNDAMSDN-CVDCTZTESA-N
XLogP4.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.86
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-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxyheptanamide
CID 125061186
(2R)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide
CID 100738867
(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-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide
CID 125061163
2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 100736402
(2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide
CID 100737524
(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
(2S)-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propoxyhexanamide
CID 100741866

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide?
The IUPAC name of (2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide (CID 100737614) is (2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide.
What is the SMILES notation for (2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide?
The canonical SMILES for (2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide is CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1.
What is the InChIKey of (2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide?
The InChIKey is BFZAJVMNDAMSDN-CVDCTZTESA-N. The full InChI is InChI=1S/C23H38N2O3/c1-5-17-28-23(4,6-2)22(26)24-20-11-13-21(14-12-20)27-18-9-16-25-15-8-7-10-19(25)3/h11-14,19H,5-10,15-18H2,1-4H3,(H,24,26)/t19-,23-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide?
(2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide has a molecular weight of 390.57 g/mol, XLogP of 4.86, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide is sourced from PubChem (CID 100737614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).