2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-propan-2-ylacetamide

C19H24N2O4 — CID 95794446

IUPAC2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2
InChIInChI=1S/C19H24N2O4/c1-13(2)20-17(23)12-21-10-9-19(8-7-18(21)24)11-15(22)14-5-3-4-6-16(14)25-19/h3-6,13H,7-12H2,1-2H3,(H,20,23)/t19-/m1/s1
InChIKeyYNGZZUUIIGJBIF-LJQANCHMSA-N
MW344.41 g/mol
LogP1.93
Rot. Bonds3

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

2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-propan-2-ylacetamide (PubChem CID 95794446) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-propan-2-ylacetamide
PubChem CID95794446
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2
InChIInChI=1S/C19H24N2O4/c1-13(2)20-17(23)12-21-10-9-19(8-7-18(21)24)11-15(22)14-5-3-4-6-16(14)25-19/h3-6,13H,7-12H2,1-2H3,(H,20,23)/t19-/m1/s1
InChIKeyYNGZZUUIIGJBIF-LJQANCHMSA-N
XLogP1.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(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
(2R)-2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-propan-2-ylpropanamide
CID 95794519
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
1'-[1-(4-acetyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]spiro[3H-chromene-2,5'-azepane]-2',4-dione
CID 110212803
(2R)-N-[3-(dimethylamino)propyl]-2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]propanamide
CID 92551471
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
(2R)-1'-[(2R)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]spiro[3H-chromene-2,5'-azepane]-2',4-dione
CID 95794502
2-(2',4-dioxospiro[3H-1,3-benzoxazine-2,5'-azepane]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 110212046

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-propan-2-ylacetamide (CID 95794446) is 2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-propan-2-ylacetamide is CC(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-propan-2-ylacetamide?
The InChIKey is YNGZZUUIIGJBIF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13(2)20-17(23)12-21-10-9-19(8-7-18(21)24)11-15(22)14-5-3-4-6-16(14)25-19/h3-6,13H,7-12H2,1-2H3,(H,20,23)/t19-/m1/s1.
What are the key properties of 2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-propan-2-ylacetamide?
2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-propan-2-ylacetamide has a molecular weight of 344.41 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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-propan-2-ylacetamide is sourced from PubChem (CID 95794446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).