(2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypentanamide

C23H38N2O3 — CID 100739818

IUPAC(2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypentanamide
SMILESCCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1
InChIInChI=1S/C23H38N2O3/c1-5-13-23(4,28-17-6-2)22(26)24-20-7-9-21(10-8-20)27-18-16-25-14-11-19(3)12-15-25/h7-10,19H,5-6,11-18H2,1-4H3,(H,24,26)/t23-/m1/s1
InChIKeyGLHSCGYEQQACQA-HSZRJFAPSA-N
MW390.57 g/mol
LogP4.72
Rot. Bonds11

About (2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypentanamide

(2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypentanamide (PubChem CID 100739818) has the molecular formula C23H38N2O3 and a molecular weight of 390.57 g/mol. Its IUPAC name is (2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypentanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypentanamide
PubChem CID100739818
Molecular FormulaC23H38N2O3
Molecular Weight390.57 g/mol
Exact Mass390.29
IUPAC Name(2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypentanamide
SMILESCCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1
InChIInChI=1S/C23H38N2O3/c1-5-13-23(4,28-17-6-2)22(26)24-20-7-9-21(10-8-20)27-18-16-25-14-11-19(3)12-15-25/h7-10,19H,5-6,11-18H2,1-4H3,(H,24,26)/t23-/m1/s1
InChIKeyGLHSCGYEQQACQA-HSZRJFAPSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxyheptanamide
CID 100743056
(2R)-2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxyheptanamide
CID 100711600
(2R)-2-methyl-2-propoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100739757
(2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide
CID 100739829
2-methyl-N-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxypentanamide
CID 133247084
(2R)-2-methyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide
CID 125060699
2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxypropanamide
CID 100736524
(2S)-N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-methyl-2-propoxyhexanamide
CID 100741799
(2R)-2-methyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxyhexanamide
CID 125060325
(2S)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanamide
CID 100743201
(2S)-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propoxyhexanamide
CID 100741866
(2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100697324

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypentanamide?
The IUPAC name of (2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypentanamide (CID 100739818) is (2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypentanamide.
What is the SMILES notation for (2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypentanamide?
The canonical SMILES for (2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypentanamide is CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1.
What is the InChIKey of (2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypentanamide?
The InChIKey is GLHSCGYEQQACQA-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H38N2O3/c1-5-13-23(4,28-17-6-2)22(26)24-20-7-9-21(10-8-20)27-18-16-25-14-11-19(3)12-15-25/h7-10,19H,5-6,11-18H2,1-4H3,(H,24,26)/t23-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypentanamide?
(2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypentanamide has a molecular weight of 390.57 g/mol, XLogP of 4.72, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypentanamide is sourced from PubChem (CID 100739818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).