2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide

C20H26N2O5 — CID 95794481

IUPAC2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)CN1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2
InChIInChI=1S/C20H26N2O5/c1-14(13-26-2)21-18(24)12-22-10-9-20(8-7-19(22)25)11-16(23)15-5-3-4-6-17(15)27-20/h3-6,14H,7-13H2,1-2H3,(H,21,24)/t14-,20+/m0/s1
InChIKeyOUNXNQBBJZOYNT-VBKZILBWSA-N
MW374.44 g/mol
LogP1.55
Rot. Bonds5

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

2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide (PubChem CID 95794481) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
PubChem CID95794481
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)CN1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2
InChIInChI=1S/C20H26N2O5/c1-14(13-26-2)21-18(24)12-22-10-9-20(8-7-19(22)25)11-16(23)15-5-3-4-6-17(15)27-20/h3-6,14H,7-13H2,1-2H3,(H,21,24)/t14-,20+/m0/s1
InChIKeyOUNXNQBBJZOYNT-VBKZILBWSA-N
XLogP1.55
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-propan-2-ylacetamide
CID 95794446
2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 44525327
2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 110212781
N-[2-(dimethylamino)ethyl]-2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-methylacetamide
CID 95794478
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
(2R)-2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-propan-2-ylpropanamide
CID 95794519
(2R)-N-[3-(dimethylamino)propyl]-2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]propanamide
CID 92551471
diethoxymethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 154462590
1'-(3-methylbutanoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585824
(2S)-2-[(2S)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 95794521
ethyl 2-(6-chloro-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)acetate
CID 110212843
1'-[1-(4-acetyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]spiro[3H-chromene-2,5'-azepane]-2',4-dione
CID 110212803

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The IUPAC name of 2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide (CID 95794481) is 2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide is COC[C@H](C)NC(=O)CN1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2.
What is the InChIKey of 2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The InChIKey is OUNXNQBBJZOYNT-VBKZILBWSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-14(13-26-2)21-18(24)12-22-10-9-20(8-7-19(22)25)11-16(23)15-5-3-4-6-17(15)27-20/h3-6,14H,7-13H2,1-2H3,(H,21,24)/t14-,20+/m0/s1.
What are the key properties of 2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 95794481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).