2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide

C24H23N3O4 — CID 55675125

IUPAC2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESO=C(Cn1cnc2c(oc3ccccc32)c1=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H23N3O4/c28-20(25-15-24(10-12-30-13-11-24)17-6-2-1-3-7-17)14-27-16-26-21-18-8-4-5-9-19(18)31-22(21)23(27)29/h1-9,16H,10-15H2,(H,25,28)
InChIKeyJEJJFVDSCUSXML-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.01
Rot. Bonds5

About 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide

2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide (PubChem CID 55675125) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
PubChem CID55675125
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESO=C(Cn1cnc2c(oc3ccccc32)c1=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H23N3O4/c28-20(25-15-24(10-12-30-13-11-24)17-6-2-1-3-7-17)14-27-16-26-21-18-8-4-5-9-19(18)31-22(21)23(27)29/h1-9,16H,10-15H2,(H,25,28)
InChIKeyJEJJFVDSCUSXML-UHFFFAOYSA-N
XLogP3.01
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 154798772
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 55527065
N-[2-(ethylamino)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 119507744
2-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 42408512
N-(5-chloro-2-pyridinyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 51250651
N-[2-(4-methoxyphenyl)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26644201
N-[2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]ethyl]furan-2-carboxamide
CID 33377017
N-(2-chlorophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7802162
N-(2-bromophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7802170
methyl 6-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]hexanoate
CID 32987169
N-[4-(azepan-1-yl)phenyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26817386
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119536448

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide (CID 55675125) is 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide is O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The InChIKey is JEJJFVDSCUSXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c28-20(25-15-24(10-12-30-13-11-24)17-6-2-1-3-7-17)14-27-16-26-21-18-8-4-5-9-19(18)31-22(21)23(27)29/h1-9,16H,10-15H2,(H,25,28).
What are the key properties of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide has a molecular weight of 417.47 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 55675125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).