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

C16H18N4O2 — CID 133303979

IUPACN-[3-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]propyl]acetamide
SMILESCC(=O)NCCCN(C)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C16H18N4O2/c1-11(21)17-8-5-9-20(2)16-15-14(18-10-19-16)12-6-3-4-7-13(12)22-15/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,21)
InChIKeyZQFSUROUIGQROV-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.34
Rot. Bonds5

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

N-[3-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]propyl]acetamide (PubChem CID 133303979) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[3-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]propyl]acetamide
PubChem CID133303979
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[3-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]propyl]acetamide
SMILESCC(=O)NCCCN(C)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C16H18N4O2/c1-11(21)17-8-5-9-20(2)16-15-14(18-10-19-16)12-6-3-4-7-13(12)22-15/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,21)
InChIKeyZQFSUROUIGQROV-UHFFFAOYSA-N
XLogP2.34
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]propyl]acetamide?
The IUPAC name of N-[3-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]propyl]acetamide (CID 133303979) is N-[3-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]propyl]acetamide.
What is the SMILES notation for N-[3-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]propyl]acetamide?
The canonical SMILES for N-[3-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]propyl]acetamide is CC(=O)NCCCN(C)c1ncnc2c1oc1ccccc12.
What is the InChIKey of N-[3-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]propyl]acetamide?
The InChIKey is ZQFSUROUIGQROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11(21)17-8-5-9-20(2)16-15-14(18-10-19-16)12-6-3-4-7-13(12)22-15/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,21).
What are the key properties of N-[3-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]propyl]acetamide?
N-[3-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]propyl]acetamide has a molecular weight of 298.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]propyl]acetamide is sourced from PubChem (CID 133303979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).