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

C17H19N3O3 — CID 4808373

IUPACN-(3-methylbutan-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cn1cnc2c(oc3ccccc32)c1=O
InChIInChI=1S/C17H19N3O3/c1-10(2)11(3)19-14(21)8-20-9-18-15-12-6-4-5-7-13(12)23-16(15)17(20)22/h4-7,9-11H,8H2,1-3H3,(H,19,21)
InChIKeyBFUNBNLRQMQOPC-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.30
Rot. Bonds4

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

N-(3-methylbutan-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 4808373) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID4808373
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(3-methylbutan-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cn1cnc2c(oc3ccccc32)c1=O
InChIInChI=1S/C17H19N3O3/c1-10(2)11(3)19-14(21)8-20-9-18-15-12-6-4-5-7-13(12)23-16(15)17(20)22/h4-7,9-11H,8H2,1-3H3,(H,19,21)
InChIKeyBFUNBNLRQMQOPC-UHFFFAOYSA-N
XLogP2.30
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (CID 4808373) is N-(3-methylbutan-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is CC(C)C(C)NC(=O)Cn1cnc2c(oc3ccccc32)c1=O.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is BFUNBNLRQMQOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-10(2)11(3)19-14(21)8-20-9-18-15-12-6-4-5-7-13(12)23-16(15)17(20)22/h4-7,9-11H,8H2,1-3H3,(H,19,21).
What are the key properties of N-(3-methylbutan-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
N-(3-methylbutan-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 313.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 4808373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).