2-(2,4-dioxopyrimidin-1-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylacetamide

C19H21N3O5 — CID 110213408

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylacetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC1CC2(CCOCC2)Oc2ccccc21
InChIInChI=1S/C19H21N3O5/c23-16-5-8-22(18(25)21-16)12-17(24)20-14-11-19(6-9-26-10-7-19)27-15-4-2-1-3-13(14)15/h1-5,8,14H,6-7,9-12H2,(H,20,24)(H,21,23,25)
InChIKeyFXIIPUVVLMLQGL-UHFFFAOYSA-N
MW371.39 g/mol
LogP0.73
Rot. Bonds3

About 2-(2,4-dioxopyrimidin-1-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylacetamide

2-(2,4-dioxopyrimidin-1-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylacetamide (PubChem CID 110213408) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylacetamide
PubChem CID110213408
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylacetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC1CC2(CCOCC2)Oc2ccccc21
InChIInChI=1S/C19H21N3O5/c23-16-5-8-22(18(25)21-16)12-17(24)20-14-11-19(6-9-26-10-7-19)27-15-4-2-1-3-13(14)15/h1-5,8,14H,6-7,9-12H2,(H,20,24)(H,21,23,25)
InChIKeyFXIIPUVVLMLQGL-UHFFFAOYSA-N
XLogP0.73
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)-N-[(2R,4R)-1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl]acetamide
CID 95794775
2-(3-oxomorpholin-4-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 124889807
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37345436
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 51642054
4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxane-4-carboxylic acid
CID 115291609
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 9264917
4-(1,1-dioxo-1,4-thiazinan-4-yl)-4-oxo-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylbutanamide
CID 110213487
2-(2-oxopyrrolidin-1-yl)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99626194
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylpropanamide
CID 110213406
3-(3-chloro-1,2-oxazol-5-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylpropanamide
CID 110213401

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylacetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylacetamide (CID 110213408) is 2-(2,4-dioxopyrimidin-1-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylacetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylacetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylacetamide is O=C(Cn1ccc(=O)[nH]c1=O)NC1CC2(CCOCC2)Oc2ccccc21.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylacetamide?
The InChIKey is FXIIPUVVLMLQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c23-16-5-8-22(18(25)21-16)12-17(24)20-14-11-19(6-9-26-10-7-19)27-15-4-2-1-3-13(14)15/h1-5,8,14H,6-7,9-12H2,(H,20,24)(H,21,23,25).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylacetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylacetamide has a molecular weight of 371.39 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylacetamide is sourced from PubChem (CID 110213408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).