2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(1-methylimidazol-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide

C22H30N4O3 — CID 157019360

IUPAC2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(1-methylimidazol-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide
SMILESCCOCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1nccn1C)C[C@H]2O
InChIInChI=1S/C22H30N4O3/c1-3-29-14-20(28)24-11-17-21(16-7-5-4-6-8-16)22(17)15-26(12-18(22)27)13-19-23-9-10-25(19)2/h4-10,17-18,21,27H,3,11-15H2,1-2H3,(H,24,28)/t17-,18-,21-,22-/m1/s1
InChIKeyOQLPUTYWIDIMMU-MCEIDBOGSA-N
MW398.51 g/mol
LogP1.15
Rot. Bonds8

About 2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(1-methylimidazol-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide

2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(1-methylimidazol-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide (PubChem CID 157019360) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(1-methylimidazol-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(1-methylimidazol-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide
PubChem CID157019360
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(1-methylimidazol-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide
SMILESCCOCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1nccn1C)C[C@H]2O
InChIInChI=1S/C22H30N4O3/c1-3-29-14-20(28)24-11-17-21(16-7-5-4-6-8-16)22(17)15-26(12-18(22)27)13-19-23-9-10-25(19)2/h4-10,17-18,21,27H,3,11-15H2,1-2H3,(H,24,28)/t17-,18-,21-,22-/m1/s1
InChIKeyOQLPUTYWIDIMMU-MCEIDBOGSA-N
XLogP1.15
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(1-methylimidazol-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-2-phenyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide
CID 157011023
N-[[(1R,2S,3R,4S)-4-hydroxy-2-phenyl-6-(pyrimidin-5-ylmethyl)-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methoxypropanamide
CID 162637435
N-[[(1R,2S,3R,4R)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-2-pyrazol-1-ylacetamide
CID 157018408
3-hydroxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-(6-methylpyrimidin-4-yl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]propanamide
CID 157017632
N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]cyclobutanecarboxamide
CID 162625773
(5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124815931
N-[[(1R,2S,3R,4R)-4-hydroxy-6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide
CID 162626733
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 86285845
(1R,2S,3R,4R)-1-(hydroxymethyl)-6-[(5-methylpyrazin-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-4-ol
CID 155497826
[(3S,4S)-4-(2-amino-2-oxoethyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl] benzoate
CID 155997900
N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 45247244
acetic acid;(1R,2S,3R,4S)-1-(hydroxymethyl)-6-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-phenyl-6-azaspiro[2.4]heptan-4-ol
CID 171321654

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(1-methylimidazol-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide?
The IUPAC name of 2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(1-methylimidazol-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide (CID 157019360) is 2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(1-methylimidazol-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(1-methylimidazol-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(1-methylimidazol-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide is CCOCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1nccn1C)C[C@H]2O.
What is the InChIKey of 2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(1-methylimidazol-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide?
The InChIKey is OQLPUTYWIDIMMU-MCEIDBOGSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-3-29-14-20(28)24-11-17-21(16-7-5-4-6-8-16)22(17)15-26(12-18(22)27)13-19-23-9-10-25(19)2/h4-10,17-18,21,27H,3,11-15H2,1-2H3,(H,24,28)/t17-,18-,21-,22-/m1/s1.
What are the key properties of 2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(1-methylimidazol-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide?
2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(1-methylimidazol-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(1-methylimidazol-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide is sourced from PubChem (CID 157019360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).