N-[(3,4-dimethoxyphenyl)methyl]-2-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]acetamide

C20H30N2O4 — CID 135107673

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]acetamide
SMILESCOc1ccc(CNC(=O)CN2CCC[C@@]3(CCC[C@H]3O)C2)cc1OC
InChIInChI=1S/C20H30N2O4/c1-25-16-7-6-15(11-17(16)26-2)12-21-19(24)13-22-10-4-9-20(14-22)8-3-5-18(20)23/h6-7,11,18,23H,3-5,8-10,12-14H2,1-2H3,(H,21,24)/t18-,20+/m1/s1
InChIKeyXKACYBAHSGPLBV-QUCCMNQESA-N
MW362.47 g/mol
LogP1.95
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-2-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]acetamide (PubChem CID 135107673) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]acetamide
PubChem CID135107673
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]acetamide
SMILESCOc1ccc(CNC(=O)CN2CCC[C@@]3(CCC[C@H]3O)C2)cc1OC
InChIInChI=1S/C20H30N2O4/c1-25-16-7-6-15(11-17(16)26-2)12-21-19(24)13-22-10-4-9-20(14-22)8-3-5-18(20)23/h6-7,11,18,23H,3-5,8-10,12-14H2,1-2H3,(H,21,24)/t18-,20+/m1/s1
InChIKeyXKACYBAHSGPLBV-QUCCMNQESA-N
XLogP1.95
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 18083473
2-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-N-(2-methoxyphenyl)acetamide
CID 135110631
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide
CID 72905576
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide
CID 4788921
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 17407308
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)acetamide
CID 70714919
2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 16597671
N-(5-bromo-2-pyridinyl)-1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 55856093
N-[(3,4-dimethoxyphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994259
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997277
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 38151892
2-(2,3-dihydroindol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 8704444

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]acetamide (CID 135107673) is N-[(3,4-dimethoxyphenyl)methyl]-2-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]acetamide is COc1ccc(CNC(=O)CN2CCC[C@@]3(CCC[C@H]3O)C2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]acetamide?
The InChIKey is XKACYBAHSGPLBV-QUCCMNQESA-N. The full InChI is InChI=1S/C20H30N2O4/c1-25-16-7-6-15(11-17(16)26-2)12-21-19(24)13-22-10-4-9-20(14-22)8-3-5-18(20)23/h6-7,11,18,23H,3-5,8-10,12-14H2,1-2H3,(H,21,24)/t18-,20+/m1/s1.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]acetamide has a molecular weight of 362.47 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]acetamide is sourced from PubChem (CID 135107673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).