4-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxane-4-carboxamide

C14H20N2O3 — CID 115294623

IUPAC4-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxane-4-carboxamide
SMILESNC1(C(=O)NC2CCCc3occc32)CCOCC1
InChIInChI=1S/C14H20N2O3/c15-14(5-8-18-9-6-14)13(17)16-11-2-1-3-12-10(11)4-7-19-12/h4,7,11H,1-3,5-6,8-9,15H2,(H,16,17)
InChIKeyBJXZFPSJFNOTQR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.28
Rot. Bonds2

About 4-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxane-4-carboxamide

4-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxane-4-carboxamide (PubChem CID 115294623) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxane-4-carboxamide
PubChem CID115294623
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxane-4-carboxamide
SMILESNC1(C(=O)NC2CCCc3occc32)CCOCC1
InChIInChI=1S/C14H20N2O3/c15-14(5-8-18-9-6-14)13(17)16-11-2-1-3-12-10(11)4-7-19-12/h4,7,11H,1-3,5-6,8-9,15H2,(H,16,17)
InChIKeyBJXZFPSJFNOTQR-UHFFFAOYSA-N
XLogP1.28
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxane-4-carboxamide (CID 115294623) is 4-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxane-4-carboxamide is NC1(C(=O)NC2CCCc3occc32)CCOCC1.
What is the InChIKey of 4-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxane-4-carboxamide?
The InChIKey is BJXZFPSJFNOTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-14(5-8-18-9-6-14)13(17)16-11-2-1-3-12-10(11)4-7-19-12/h4,7,11H,1-3,5-6,8-9,15H2,(H,16,17).
What are the key properties of 4-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxane-4-carboxamide?
4-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxane-4-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxane-4-carboxamide is sourced from PubChem (CID 115294623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).