2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide

C21H34N2O3 — CID 100736402

IUPAC2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
SMILESCCCOC(C)(C)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1
InChIInChI=1S/C21H34N2O3/c1-5-15-26-21(3,4)20(24)22-18-9-11-19(12-10-18)25-16-14-23-13-7-6-8-17(23)2/h9-12,17H,5-8,13-16H2,1-4H3,(H,22,24)/t17-/m0/s1
InChIKeyYMNBWALKKKFOQK-KRWDZBQOSA-N
MW362.51 g/mol
LogP4.08
Rot. Bonds9

About 2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide

2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide (PubChem CID 100736402) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
PubChem CID100736402
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
SMILESCCCOC(C)(C)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1
InChIInChI=1S/C21H34N2O3/c1-5-15-26-21(3,4)20(24)22-18-9-11-19(12-10-18)25-16-14-23-13-7-6-8-17(23)2/h9-12,17H,5-8,13-16H2,1-4H3,(H,22,24)/t17-/m0/s1
InChIKeyYMNBWALKKKFOQK-KRWDZBQOSA-N
XLogP4.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(2R)-2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxyhexanamide
CID 100741736
(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-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide
CID 100709144
(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)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide
CID 100738867
2-methyl-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypropanamide
CID 133246929
(2R)-2-ethoxy-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]hexanamide
CID 100727279
2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxypropanamide
CID 100736524

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide?
The IUPAC name of 2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide (CID 100736402) is 2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide.
What is the SMILES notation for 2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide?
The canonical SMILES for 2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide is CCCOC(C)(C)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1.
What is the InChIKey of 2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide?
The InChIKey is YMNBWALKKKFOQK-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-5-15-26-21(3,4)20(24)22-18-9-11-19(12-10-18)25-16-14-23-13-7-6-8-17(23)2/h9-12,17H,5-8,13-16H2,1-4H3,(H,22,24)/t17-/m0/s1.
What are the key properties of 2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide?
2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide has a molecular weight of 362.51 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide is sourced from PubChem (CID 100736402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).