2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide

C17H19N3O4 — CID 35292433

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
SMILESCn1c(NC(=O)COc2ccc3c(c2)CCC3)cc(=O)n(C)c1=O
InChIInChI=1S/C17H19N3O4/c1-19-14(9-16(22)20(2)17(19)23)18-15(21)10-24-13-7-6-11-4-3-5-12(11)8-13/h6-9H,3-5,10H2,1-2H3,(H,18,21)
InChIKeySEPCEIRRKYWRGX-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.59
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide (PubChem CID 35292433) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
PubChem CID35292433
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
SMILESCn1c(NC(=O)COc2ccc3c(c2)CCC3)cc(=O)n(C)c1=O
InChIInChI=1S/C17H19N3O4/c1-19-14(9-16(22)20(2)17(19)23)18-15(21)10-24-13-7-6-11-4-3-5-12(11)8-13/h6-9H,3-5,10H2,1-2H3,(H,18,21)
InChIKeySEPCEIRRKYWRGX-UHFFFAOYSA-N
XLogP0.59
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30181893
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
CID 51275231
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-methylbutan-2-yl)acetamide
CID 84602200
dimethyl 5-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2711603
N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 112978184
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 23964696
N-(2,6-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 51139353
N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 26655876
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115630112
N-[4-(azepan-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 7582308
methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate
CID 55916355

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide (CID 35292433) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide is Cn1c(NC(=O)COc2ccc3c(c2)CCC3)cc(=O)n(C)c1=O.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
The InChIKey is SEPCEIRRKYWRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-19-14(9-16(22)20(2)17(19)23)18-15(21)10-24-13-7-6-11-4-3-5-12(11)8-13/h6-9H,3-5,10H2,1-2H3,(H,18,21).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide is sourced from PubChem (CID 35292433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).