2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide

C23H24N4O4 — CID 71590368

IUPAC2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide
SMILESCCNCC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c2oc2ccccc23)cc1
InChIInChI=1S/C23H24N4O4/c1-3-24-14-19(28)25-16-10-8-15(9-11-16)20-22-21(17-6-4-5-7-18(17)31-22)27(12-13-30-2)23(29)26-20/h4-11,24H,3,12-14H2,1-2H3,(H,25,28)
InChIKeyFVVQVMDMBXWXEO-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.00
Rot. Bonds8

About 2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide

2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide (PubChem CID 71590368) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide
PubChem CID71590368
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide
SMILESCCNCC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c2oc2ccccc23)cc1
InChIInChI=1S/C23H24N4O4/c1-3-24-14-19(28)25-16-10-8-15(9-11-16)20-22-21(17-6-4-5-7-18(17)31-22)27(12-13-30-2)23(29)26-20/h4-11,24H,3,12-14H2,1-2H3,(H,25,28)
InChIKeyFVVQVMDMBXWXEO-UHFFFAOYSA-N
XLogP3.00
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of 2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide (CID 71590368) is 2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for 2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide is CCNCC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c2oc2ccccc23)cc1.
What is the InChIKey of 2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide?
The InChIKey is FVVQVMDMBXWXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-3-24-14-19(28)25-16-10-8-15(9-11-16)20-22-21(17-6-4-5-7-18(17)31-22)27(12-13-30-2)23(29)26-20/h4-11,24H,3,12-14H2,1-2H3,(H,25,28).
What are the key properties of 2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide?
2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 420.47 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 71590368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).