(2R)-2-ethoxy-2,4-dimethyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]pentanamide

C23H38N2O3 — CID 125060296

IUPAC(2R)-2-ethoxy-2,4-dimethyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]pentanamide
SMILESCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1
InChIInChI=1S/C23H38N2O3/c1-6-28-23(5,16-18(2)3)22(26)24-20-9-11-21(12-10-20)27-15-14-25-13-7-8-19(4)17-25/h9-12,18-19H,6-8,13-17H2,1-5H3,(H,24,26)/t19-,23+/m0/s1
InChIKeyBYKHCSXHBFITSH-WMZHIEFXSA-N
MW390.57 g/mol
LogP4.58
Rot. Bonds10

About (2R)-2-ethoxy-2,4-dimethyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]pentanamide

(2R)-2-ethoxy-2,4-dimethyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]pentanamide (PubChem CID 125060296) has the molecular formula C23H38N2O3 and a molecular weight of 390.57 g/mol. Its IUPAC name is (2R)-2-ethoxy-2,4-dimethyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-2,4-dimethyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]pentanamide
PubChem CID125060296
Molecular FormulaC23H38N2O3
Molecular Weight390.57 g/mol
Exact Mass390.29
IUPAC Name(2R)-2-ethoxy-2,4-dimethyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]pentanamide
SMILESCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1
InChIInChI=1S/C23H38N2O3/c1-6-28-23(5,16-18(2)3)22(26)24-20-9-11-21(12-10-20)27-15-14-25-13-7-8-19(4)17-25/h9-12,18-19H,6-8,13-17H2,1-5H3,(H,24,26)/t19-,23+/m0/s1
InChIKeyBYKHCSXHBFITSH-WMZHIEFXSA-N
XLogP4.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-2,4-dimethyl-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]pentanamide
CID 133246561
2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide
CID 100725916
(2S)-2,4-dimethyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide
CID 125061203
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 133246563
(2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide
CID 125060717
(2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide
CID 100739829
2-methyl-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypropanamide
CID 133246929
2,4-dimethyl-2-propoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 133247011
(2S)-2-cyclopropyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 100717751
(2S)-2-cyclopropyl-2-ethoxy-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]propanamide
CID 125061179
2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide
CID 133179595
2-methyl-N-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxypentanamide
CID 133247084

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-2,4-dimethyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]pentanamide?
The IUPAC name of (2R)-2-ethoxy-2,4-dimethyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]pentanamide (CID 125060296) is (2R)-2-ethoxy-2,4-dimethyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]pentanamide.
What is the SMILES notation for (2R)-2-ethoxy-2,4-dimethyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]pentanamide?
The canonical SMILES for (2R)-2-ethoxy-2,4-dimethyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]pentanamide is CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1.
What is the InChIKey of (2R)-2-ethoxy-2,4-dimethyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]pentanamide?
The InChIKey is BYKHCSXHBFITSH-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H38N2O3/c1-6-28-23(5,16-18(2)3)22(26)24-20-9-11-21(12-10-20)27-15-14-25-13-7-8-19(4)17-25/h9-12,18-19H,6-8,13-17H2,1-5H3,(H,24,26)/t19-,23+/m0/s1.
What are the key properties of (2R)-2-ethoxy-2,4-dimethyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]pentanamide?
(2R)-2-ethoxy-2,4-dimethyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]pentanamide has a molecular weight of 390.57 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-2,4-dimethyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]pentanamide is sourced from PubChem (CID 125060296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).