2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(2-morpholin-4-ylethyl)acetamide

C22H29N3O5 — CID 44525327

IUPAC2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CN1CCC2(CCC1=O)CC(=O)c1ccccc1O2)NCCN1CCOCC1
InChIInChI=1S/C22H29N3O5/c26-18-15-22(30-19-4-2-1-3-17(18)19)6-5-21(28)25(9-7-22)16-20(27)23-8-10-24-11-13-29-14-12-24/h1-4H,5-16H2,(H,23,27)
InChIKeyOQQVEBXYLJJRLJ-UHFFFAOYSA-N
MW415.49 g/mol
LogP0.85
Rot. Bonds5

About 2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 44525327) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID44525327
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Name2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CN1CCC2(CCC1=O)CC(=O)c1ccccc1O2)NCCN1CCOCC1
InChIInChI=1S/C22H29N3O5/c26-18-15-22(30-19-4-2-1-3-17(18)19)6-5-21(28)25(9-7-22)16-20(27)23-8-10-24-11-13-29-14-12-24/h1-4H,5-16H2,(H,23,27)
InChIKeyOQQVEBXYLJJRLJ-UHFFFAOYSA-N
XLogP0.85
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(2S)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 95794521
2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 95794481
2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 110212781
1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 126468398
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546
N-benzyl-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetamide
CID 164696517
(2R)-2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-propan-2-ylpropanamide
CID 95794519
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
2-[4-(1,3-dithiol-2-ylidene)-3,5-dioxo-2H-1-benzazepin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
CID 139792117
2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 15994320
N-(2-morpholin-4-ylethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053341
ethyl 2-(6-chloro-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)acetate
CID 110212843

Frequently Asked Questions

What is the IUPAC name of 2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 44525327) is 2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(2-morpholin-4-ylethyl)acetamide is O=C(CN1CCC2(CCC1=O)CC(=O)c1ccccc1O2)NCCN1CCOCC1.
What is the InChIKey of 2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is OQQVEBXYLJJRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c26-18-15-22(30-19-4-2-1-3-17(18)19)6-5-21(28)25(9-7-22)16-20(27)23-8-10-24-11-13-29-14-12-24/h1-4H,5-16H2,(H,23,27).
What are the key properties of 2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 415.49 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 44525327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).