2-[[(2R)-oxolan-2-yl]methoxy]-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide

C21H28N2O5 — CID 92576036

IUPAC2-[[(2R)-oxolan-2-yl]methoxy]-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide
SMILESO=C(COC[C@H]1CCCO1)NC1CCC2(CC1)CNC(=O)c1ccccc1O2
InChIInChI=1S/C21H28N2O5/c24-19(13-26-12-16-4-3-11-27-16)23-15-7-9-21(10-8-15)14-22-20(25)17-5-1-2-6-18(17)28-21/h1-2,5-6,15-16H,3-4,7-14H2,(H,22,25)(H,23,24)/t15?,16-,21?/m1/s1
InChIKeyHOZNRJBRMPLLTL-ZGOJQLDESA-N
MW388.46 g/mol
LogP1.80
Rot. Bonds5

About 2-[[(2R)-oxolan-2-yl]methoxy]-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide

2-[[(2R)-oxolan-2-yl]methoxy]-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide (PubChem CID 92576036) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-[[(2R)-oxolan-2-yl]methoxy]-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide.

Molecular Properties

Compound Name2-[[(2R)-oxolan-2-yl]methoxy]-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide
PubChem CID92576036
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name2-[[(2R)-oxolan-2-yl]methoxy]-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide
SMILESO=C(COC[C@H]1CCCO1)NC1CCC2(CC1)CNC(=O)c1ccccc1O2
InChIInChI=1S/C21H28N2O5/c24-19(13-26-12-16-4-3-11-27-16)23-15-7-9-21(10-8-15)14-22-20(25)17-5-1-2-6-18(17)28-21/h1-2,5-6,15-16H,3-4,7-14H2,(H,22,25)(H,23,24)/t15?,16-,21?/m1/s1
InChIKeyHOZNRJBRMPLLTL-ZGOJQLDESA-N
XLogP1.80
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R)-oxolan-2-yl]methoxy]-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide with MolForge

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Related Compounds

3-[(2S)-oxolan-2-yl]-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)propanamide
CID 51590523
N-methyl-3-[(2S)-oxolan-2-yl]-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)propanamide
CID 51598759
N-(1-benzylpiperidin-4-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 164638299
2-methyl-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)-3-pyrazol-1-ylpropanamide
CID 46973300
N-methyl-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)methanesulfonamide
CID 46973309
2-[[(2S)-oxolan-2-yl]methoxy]-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]acetamide
CID 129489600
N-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
CID 7385132
2-(oxan-2-ylmethoxy)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide
CID 46955879
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 18069772
N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95935311
2-(oxolan-2-ylmethoxy)-N-(1,2-thiazol-5-yl)acetamide
CID 126829996
N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 24702582

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-oxolan-2-yl]methoxy]-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide?
The IUPAC name of 2-[[(2R)-oxolan-2-yl]methoxy]-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide (CID 92576036) is 2-[[(2R)-oxolan-2-yl]methoxy]-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide.
What is the SMILES notation for 2-[[(2R)-oxolan-2-yl]methoxy]-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide?
The canonical SMILES for 2-[[(2R)-oxolan-2-yl]methoxy]-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide is O=C(COC[C@H]1CCCO1)NC1CCC2(CC1)CNC(=O)c1ccccc1O2.
What is the InChIKey of 2-[[(2R)-oxolan-2-yl]methoxy]-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide?
The InChIKey is HOZNRJBRMPLLTL-ZGOJQLDESA-N. The full InChI is InChI=1S/C21H28N2O5/c24-19(13-26-12-16-4-3-11-27-16)23-15-7-9-21(10-8-15)14-22-20(25)17-5-1-2-6-18(17)28-21/h1-2,5-6,15-16H,3-4,7-14H2,(H,22,25)(H,23,24)/t15?,16-,21?/m1/s1.
What are the key properties of 2-[[(2R)-oxolan-2-yl]methoxy]-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide?
2-[[(2R)-oxolan-2-yl]methoxy]-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide has a molecular weight of 388.46 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-oxolan-2-yl]methoxy]-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide is sourced from PubChem (CID 92576036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).