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

C25H26N4O4 — CID 71602683

IUPACN-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-pyrrolidin-1-ylacetamide
SMILESCOCCn1c(=O)nc(-c2ccc(NC(=O)CN3CCCC3)cc2)c2oc3ccccc3c21
InChIInChI=1S/C25H26N4O4/c1-32-15-14-29-23-19-6-2-3-7-20(19)33-24(23)22(27-25(29)31)17-8-10-18(11-9-17)26-21(30)16-28-12-4-5-13-28/h2-3,6-11H,4-5,12-16H2,1H3,(H,26,30)
InChIKeyOJUGUNXGPQGTIZ-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.49
Rot. Bonds7

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

N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 71602683) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-pyrrolidin-1-ylacetamide
PubChem CID71602683
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC NameN-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-pyrrolidin-1-ylacetamide
SMILESCOCCn1c(=O)nc(-c2ccc(NC(=O)CN3CCCC3)cc2)c2oc3ccccc3c21
InChIInChI=1S/C25H26N4O4/c1-32-15-14-29-23-19-6-2-3-7-20(19)33-24(23)22(27-25(29)31)17-8-10-18(11-9-17)26-21(30)16-28-12-4-5-13-28/h2-3,6-11H,4-5,12-16H2,1H3,(H,26,30)
InChIKeyOJUGUNXGPQGTIZ-UHFFFAOYSA-N
XLogP3.49
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-pyrrolidin-1-ylacetamide (CID 71602683) is N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-pyrrolidin-1-ylacetamide is COCCn1c(=O)nc(-c2ccc(NC(=O)CN3CCCC3)cc2)c2oc3ccccc3c21.
What is the InChIKey of N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is OJUGUNXGPQGTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-32-15-14-29-23-19-6-2-3-7-20(19)33-24(23)22(27-25(29)31)17-8-10-18(11-9-17)26-21(30)16-28-12-4-5-13-28/h2-3,6-11H,4-5,12-16H2,1H3,(H,26,30).
What are the key properties of N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-pyrrolidin-1-ylacetamide?
N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 446.51 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 71602683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).