2-[3-[2-(cyclopropylamino)-2-oxoethyl]-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide

C23H28N4O5 — CID 75270536

IUPAC2-[3-[2-(cyclopropylamino)-2-oxoethyl]-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1C(=O)N(CC(=O)NC2CC2)C(=O)C2OC3CCCCC3C21)Nc1ccccc1
InChIInChI=1S/C23H28N4O5/c28-18(24-14-6-2-1-3-7-14)12-26-20-16-8-4-5-9-17(16)32-21(20)22(30)27(23(26)31)13-19(29)25-15-10-11-15/h1-3,6-7,15-17,20-21H,4-5,8-13H2,(H,24,28)(H,25,29)
InChIKeyQQHSEQMSOQZANN-UHFFFAOYSA-N
MW440.50 g/mol
LogP1.49
Rot. Bonds6

About 2-[3-[2-(cyclopropylamino)-2-oxoethyl]-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide

2-[3-[2-(cyclopropylamino)-2-oxoethyl]-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide (PubChem CID 75270536) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-[3-[2-(cyclopropylamino)-2-oxoethyl]-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[2-(cyclopropylamino)-2-oxoethyl]-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
PubChem CID75270536
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name2-[3-[2-(cyclopropylamino)-2-oxoethyl]-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1C(=O)N(CC(=O)NC2CC2)C(=O)C2OC3CCCCC3C21)Nc1ccccc1
InChIInChI=1S/C23H28N4O5/c28-18(24-14-6-2-1-3-7-14)12-26-20-16-8-4-5-9-17(16)32-21(20)22(30)27(23(26)31)13-19(29)25-15-10-11-15/h1-3,6-7,15-17,20-21H,4-5,8-13H2,(H,24,28)(H,25,29)
InChIKeyQQHSEQMSOQZANN-UHFFFAOYSA-N
XLogP1.49
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[2-(cyclopropylamino)-2-oxoethyl]-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide
CID 73326879
2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 73202173
N-cyclohexyl-2-[3-(4-methylphenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 73328251
ethyl 4-[[2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetyl]amino]benzoate
CID 73451114
2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 73221087
2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 73328242
2-[3-(4-fluorophenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 73451132
1-(2-morpholin-4-yl-2-oxoethyl)-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 78460839
N-(2,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 73451134
2-[4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 55517957
N-cyclopropyl-N'-phenylbutanediamide
CID 70314355
2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-phenylacetamide
CID 156589664

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(cyclopropylamino)-2-oxoethyl]-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-[2-(cyclopropylamino)-2-oxoethyl]-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide (CID 75270536) is 2-[3-[2-(cyclopropylamino)-2-oxoethyl]-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-[2-(cyclopropylamino)-2-oxoethyl]-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-[2-(cyclopropylamino)-2-oxoethyl]-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide is O=C(CN1C(=O)N(CC(=O)NC2CC2)C(=O)C2OC3CCCCC3C21)Nc1ccccc1.
What is the InChIKey of 2-[3-[2-(cyclopropylamino)-2-oxoethyl]-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide?
The InChIKey is QQHSEQMSOQZANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c28-18(24-14-6-2-1-3-7-14)12-26-20-16-8-4-5-9-17(16)32-21(20)22(30)27(23(26)31)13-19(29)25-15-10-11-15/h1-3,6-7,15-17,20-21H,4-5,8-13H2,(H,24,28)(H,25,29).
What are the key properties of 2-[3-[2-(cyclopropylamino)-2-oxoethyl]-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide?
2-[3-[2-(cyclopropylamino)-2-oxoethyl]-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide has a molecular weight of 440.50 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(cyclopropylamino)-2-oxoethyl]-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 75270536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).