2-[4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide

C18H21N3O5 — CID 91887159

IUPAC2-[4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(C2NC(=O)N(CC(=O)NC(C)C)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C18H21N3O5/c1-10(2)19-14(22)8-21-13-9-26-17(23)15(13)16(20-18(21)24)11-4-6-12(25-3)7-5-11/h4-7,10,16H,8-9H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyNYIWPPRMVPLODU-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.10
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide

2-[4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 91887159) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide
PubChem CID91887159
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name2-[4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(C2NC(=O)N(CC(=O)NC(C)C)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C18H21N3O5/c1-10(2)19-14(22)8-21-13-9-26-17(23)15(13)16(20-18(21)24)11-4-6-12(25-3)7-5-11/h4-7,10,16H,8-9H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyNYIWPPRMVPLODU-UHFFFAOYSA-N
XLogP1.10
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide (CID 91887159) is 2-[4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide is COc1ccc(C2NC(=O)N(CC(=O)NC(C)C)C3=C2C(=O)OC3)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is NYIWPPRMVPLODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-10(2)19-14(22)8-21-13-9-26-17(23)15(13)16(20-18(21)24)11-4-6-12(25-3)7-5-11/h4-7,10,16H,8-9H2,1-3H3,(H,19,22)(H,20,24).
What are the key properties of 2-[4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide?
2-[4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 359.38 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 91887159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).