N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzamide

C24H26N4O4 — CID 71602731

IUPACN-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzamide
SMILESCOCCn1c(=O)nc(-c2ccc(C(=O)NCCN(C)C)cc2)c2oc3ccccc3c21
InChIInChI=1S/C24H26N4O4/c1-27(2)13-12-25-23(29)17-10-8-16(9-11-17)20-22-21(18-6-4-5-7-19(18)32-22)28(14-15-31-3)24(30)26-20/h4-11H,12-15H2,1-3H3,(H,25,29)
InChIKeyPYMYPFZOZHWQNF-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.75
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzamide

N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzamide (PubChem CID 71602731) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzamide
PubChem CID71602731
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzamide
SMILESCOCCn1c(=O)nc(-c2ccc(C(=O)NCCN(C)C)cc2)c2oc3ccccc3c21
InChIInChI=1S/C24H26N4O4/c1-27(2)13-12-25-23(29)17-10-8-16(9-11-17)20-22-21(18-6-4-5-7-19(18)32-22)28(14-15-31-3)24(30)26-20/h4-11H,12-15H2,1-3H3,(H,25,29)
InChIKeyPYMYPFZOZHWQNF-UHFFFAOYSA-N
XLogP2.75
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzamide (CID 71602731) is N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzamide is COCCn1c(=O)nc(-c2ccc(C(=O)NCCN(C)C)cc2)c2oc3ccccc3c21.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzamide?
The InChIKey is PYMYPFZOZHWQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-27(2)13-12-25-23(29)17-10-8-16(9-11-17)20-22-21(18-6-4-5-7-19(18)32-22)28(14-15-31-3)24(30)26-20/h4-11H,12-15H2,1-3H3,(H,25,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzamide?
N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzamide has a molecular weight of 434.50 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 71602731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).