2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide

C24H25N3O5 — CID 53334054

IUPAC2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1C(=O)NC(c2cc(C)ccc2C)C2=C1COC2=O
InChIInChI=1S/C24H25N3O5/c1-13-5-7-15(3)16(9-13)22-21-18(12-32-23(21)29)27(24(30)26-22)11-20(28)25-17-10-14(2)6-8-19(17)31-4/h5-10,22H,11-12H2,1-4H3,(H,25,28)(H,26,30)
InChIKeyLZDPRVDCDDBSKI-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.14
Rot. Bonds5

About 2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide

2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 53334054) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID53334054
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1C(=O)NC(c2cc(C)ccc2C)C2=C1COC2=O
InChIInChI=1S/C24H25N3O5/c1-13-5-7-15(3)16(9-13)22-21-18(12-32-23(21)29)27(24(30)26-22)11-20(28)25-17-10-14(2)6-8-19(17)31-4/h5-10,22H,11-12H2,1-4H3,(H,25,28)(H,26,30)
InChIKeyLZDPRVDCDDBSKI-UHFFFAOYSA-N
XLogP3.14
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 53334030
methyl 2-[[2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetyl]amino]benzoate
CID 53334021
N-(4-bromophenyl)-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 95184618
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
N-(3-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 53365658
N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 95184598
N-(5-chloro-2-methoxyphenyl)-2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 91894895
N-(5-chloro-2-methoxyphenyl)-2-[(4R)-4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 99747890
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
N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methylacetamide
CID 95184616
N-(2-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 91895010
N-(3-chloro-4-methoxyphenyl)-2-[(4S)-4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 99743551

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide (CID 53334054) is 2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CN1C(=O)NC(c2cc(C)ccc2C)C2=C1COC2=O.
What is the InChIKey of 2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is LZDPRVDCDDBSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-13-5-7-15(3)16(9-13)22-21-18(12-32-23(21)29)27(24(30)26-22)11-20(28)25-17-10-14(2)6-8-19(17)31-4/h5-10,22H,11-12H2,1-4H3,(H,25,28)(H,26,30).
What are the key properties of 2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 435.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 53334054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).