(2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide

C23H38N2O3 — CID 100739829

IUPAC(2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide
SMILESCCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C23H38N2O3/c1-5-13-23(4,28-16-6-2)22(26)24-20-9-11-21(12-10-20)27-17-15-25-14-7-8-19(3)18-25/h9-12,19H,5-8,13-18H2,1-4H3,(H,24,26)/t19-,23+/m1/s1
InChIKeySEYDJNUIEGQQLF-XXBNENTESA-N
MW390.57 g/mol
LogP4.72
Rot. Bonds11

About (2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide

(2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide (PubChem CID 100739829) has the molecular formula C23H38N2O3 and a molecular weight of 390.57 g/mol. Its IUPAC name is (2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide
PubChem CID100739829
Molecular FormulaC23H38N2O3
Molecular Weight390.57 g/mol
Exact Mass390.29
IUPAC Name(2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide
SMILESCCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C23H38N2O3/c1-5-13-23(4,28-16-6-2)22(26)24-20-9-11-21(12-10-20)27-17-15-25-14-7-8-19(3)18-25/h9-12,19H,5-8,13-18H2,1-4H3,(H,24,26)/t19-,23+/m1/s1
InChIKeySEYDJNUIEGQQLF-XXBNENTESA-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

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
(2R)-2-methyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxyhexanamide
CID 125060325
2-methyl-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypropanamide
CID 133246929
(2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypentanamide
CID 100739818
(2R)-2-methyl-2-propoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100739757
(2S)-2-cyclopropyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 100717751
(2S)-2,4-dimethyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide
CID 125061203
(2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide
CID 125060717
(2R)-2-ethoxy-2,4-dimethyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]pentanamide
CID 125060296
2-ethoxy-2,4-dimethyl-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]pentanamide
CID 133246561
(2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxyheptanamide
CID 100743056

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide?
The IUPAC name of (2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide (CID 100739829) is (2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide.
What is the SMILES notation for (2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide?
The canonical SMILES for (2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide is CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1.
What is the InChIKey of (2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide?
The InChIKey is SEYDJNUIEGQQLF-XXBNENTESA-N. The full InChI is InChI=1S/C23H38N2O3/c1-5-13-23(4,28-16-6-2)22(26)24-20-9-11-21(12-10-20)27-17-15-25-14-7-8-19(3)18-25/h9-12,19H,5-8,13-18H2,1-4H3,(H,24,26)/t19-,23+/m1/s1.
What are the key properties of (2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide?
(2S)-2-methyl-N-[4-[2-[(3R)-3-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 (2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide is sourced from PubChem (CID 100739829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).