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

C18H21N3O5 — CID 99745316

IUPAC2-[(4R)-4-(2-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)N[C@H](c2ccccc2OC)C2=C1COC2=O
InChIInChI=1S/C18H21N3O5/c1-3-8-19-14(22)9-21-12-10-26-17(23)15(12)16(20-18(21)24)11-6-4-5-7-13(11)25-2/h4-7,16H,3,8-10H2,1-2H3,(H,19,22)(H,20,24)/t16-/m1/s1
InChIKeyOHQGWZMLLJUOJT-MRXNPFEDSA-N
MW359.38 g/mol
LogP1.10
Rot. Bonds6

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

2-[(4R)-4-(2-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propylacetamide (PubChem CID 99745316) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[(4R)-4-(2-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4R)-4-(2-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propylacetamide
PubChem CID99745316
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name2-[(4R)-4-(2-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)N[C@H](c2ccccc2OC)C2=C1COC2=O
InChIInChI=1S/C18H21N3O5/c1-3-8-19-14(22)9-21-12-10-26-17(23)15(12)16(20-18(21)24)11-6-4-5-7-13(11)25-2/h4-7,16H,3,8-10H2,1-2H3,(H,19,22)(H,20,24)/t16-/m1/s1
InChIKeyOHQGWZMLLJUOJT-MRXNPFEDSA-N
XLogP1.10
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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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Related Compounds

2-[(4R)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-phenylpropyl)acetamide
CID 99743879
2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 91895032
4-(2-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 91887130
2-[(4R)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 99743767
2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 99744718
N-(2-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 91895010
2-[(4R)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 99747879
N-ethyl-N-(4-ethylphenyl)-2-[(4S)-4-(2-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 125128297
2-[(4R)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 99743855
2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 99743854
2-[(4R)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 99743857
2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 99743720

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(2-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[(4R)-4-(2-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propylacetamide (CID 99745316) is 2-[(4R)-4-(2-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[(4R)-4-(2-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[(4R)-4-(2-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1C(=O)N[C@H](c2ccccc2OC)C2=C1COC2=O.
What is the InChIKey of 2-[(4R)-4-(2-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propylacetamide?
The InChIKey is OHQGWZMLLJUOJT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-3-8-19-14(22)9-21-12-10-26-17(23)15(12)16(20-18(21)24)11-6-4-5-7-13(11)25-2/h4-7,16H,3,8-10H2,1-2H3,(H,19,22)(H,20,24)/t16-/m1/s1.
What are the key properties of 2-[(4R)-4-(2-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propylacetamide?
2-[(4R)-4-(2-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propylacetamide has a molecular weight of 359.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(2-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 99745316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).