(2S)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide

C21H34N2O3 — CID 100693908

IUPAC(2S)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide
SMILESCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1
InChIInChI=1S/C21H34N2O3/c1-6-21(4,25-5)20(24)22-18-7-9-19(10-8-18)26-12-11-23-14-16(2)13-17(3)15-23/h7-10,16-17H,6,11-15H2,1-5H3,(H,22,24)/t16-,17-,21+/m1/s1
InChIKeyWRXUPVWGGBHFQZ-LZJOCLMNSA-N
MW362.51 g/mol
LogP3.80
Rot. Bonds8

About (2S)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide

(2S)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide (PubChem CID 100693908) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is (2S)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide
PubChem CID100693908
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name(2S)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide
SMILESCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1
InChIInChI=1S/C21H34N2O3/c1-6-21(4,25-5)20(24)22-18-7-9-19(10-8-18)26-12-11-23-14-16(2)13-17(3)15-23/h7-10,16-17H,6,11-15H2,1-5H3,(H,22,24)/t16-,17-,21+/m1/s1
InChIKeyWRXUPVWGGBHFQZ-LZJOCLMNSA-N
XLogP3.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide with MolForge

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Related Compounds

(2R)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide
CID 100693894
(2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide
CID 125060717
2-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methylpropanamide
CID 100691005
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 133246563
N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide
CID 133245858
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)butanamide
CID 100693286
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 100693614
(2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100697324
(2S)-2-methoxy-2-methyl-N-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]heptanamide
CID 100702037
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide
CID 133246116
1-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]ethanone
CID 7380342
(2R)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]heptanamide
CID 100701698

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide?
The IUPAC name of (2S)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide (CID 100693908) is (2S)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide.
What is the SMILES notation for (2S)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide?
The canonical SMILES for (2S)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide is CC[C@](C)(OC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1.
What is the InChIKey of (2S)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide?
The InChIKey is WRXUPVWGGBHFQZ-LZJOCLMNSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-6-21(4,25-5)20(24)22-18-7-9-19(10-8-18)26-12-11-23-14-16(2)13-17(3)15-23/h7-10,16-17H,6,11-15H2,1-5H3,(H,22,24)/t16-,17-,21+/m1/s1.
What are the key properties of (2S)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide?
(2S)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide has a molecular weight of 362.51 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide is sourced from PubChem (CID 100693908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).