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

C18H21N3O5 — CID 99745334

IUPAC2-[(4S)-4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc([C@@H]2NC(=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)/t16-/m0/s1
InChIKeyNYIWPPRMVPLODU-INIZCTEOSA-N
MW359.38 g/mol
LogP1.10
Rot. Bonds5

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

2-[(4S)-4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 99745334) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[(4S)-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-[(4S)-4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide
PubChem CID99745334
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name2-[(4S)-4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc([C@@H]2NC(=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)/t16-/m0/s1
InChIKeyNYIWPPRMVPLODU-INIZCTEOSA-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

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

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Related Compounds

1-ethyl-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 91887145
N-(4-methoxyphenyl)-2-[(4S)-4-(4-methylsulfanylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 95394611
N,N-diethyl-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 125128634
N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylsulfanylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 53365706
N-[(3-methoxyphenyl)methyl]-2-[4-(4-methylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 91894971
N-butyl-N-ethyl-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 125126489
2-[(4S)-4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 99744709
2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide
CID 53334045
2-[4-(4-methylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 91894966
(4S)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 42586388
2-[(4R)-4-(4-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 125128970
2-[(4R)-4-(4-methylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 99744677

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-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-[(4S)-4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide (CID 99745334) is 2-[(4S)-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-[(4S)-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-[(4S)-4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide is COc1ccc([C@@H]2NC(=O)N(CC(=O)NC(C)C)C3=C2C(=O)OC3)cc1.
What is the InChIKey of 2-[(4S)-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-INIZCTEOSA-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)/t16-/m0/s1.
What are the key properties of 2-[(4S)-4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide?
2-[(4S)-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-[(4S)-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 99745334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).