methyl 4-oxo-4-(6,7,8,9-tetrahydrodibenzofuran-2-ylamino)butanoate

C17H19NO4 — CID 6485557

IUPACmethyl 4-oxo-4-(6,7,8,9-tetrahydrodibenzofuran-2-ylamino)butanoate
SMILESCOC(=O)CCC(=O)Nc1ccc2oc3c(c2c1)CCCC3
InChIInChI=1S/C17H19NO4/c1-21-17(20)9-8-16(19)18-11-6-7-15-13(10-11)12-4-2-3-5-14(12)22-15/h6-7,10H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyRDXYAMZKXBXZSD-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.20
Rot. Bonds4

About methyl 4-oxo-4-(6,7,8,9-tetrahydrodibenzofuran-2-ylamino)butanoate

methyl 4-oxo-4-(6,7,8,9-tetrahydrodibenzofuran-2-ylamino)butanoate (PubChem CID 6485557) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is methyl 4-oxo-4-(6,7,8,9-tetrahydrodibenzofuran-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-oxo-4-(6,7,8,9-tetrahydrodibenzofuran-2-ylamino)butanoate
PubChem CID6485557
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Namemethyl 4-oxo-4-(6,7,8,9-tetrahydrodibenzofuran-2-ylamino)butanoate
SMILESCOC(=O)CCC(=O)Nc1ccc2oc3c(c2c1)CCCC3
InChIInChI=1S/C17H19NO4/c1-21-17(20)9-8-16(19)18-11-6-7-15-13(10-11)12-4-2-3-5-14(12)22-15/h6-7,10H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyRDXYAMZKXBXZSD-UHFFFAOYSA-N
XLogP3.20
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-4-(6,7,8,9-tetrahydrodibenzofuran-2-ylamino)butanoate?
The IUPAC name of methyl 4-oxo-4-(6,7,8,9-tetrahydrodibenzofuran-2-ylamino)butanoate (CID 6485557) is methyl 4-oxo-4-(6,7,8,9-tetrahydrodibenzofuran-2-ylamino)butanoate.
What is the SMILES notation for methyl 4-oxo-4-(6,7,8,9-tetrahydrodibenzofuran-2-ylamino)butanoate?
The canonical SMILES for methyl 4-oxo-4-(6,7,8,9-tetrahydrodibenzofuran-2-ylamino)butanoate is COC(=O)CCC(=O)Nc1ccc2oc3c(c2c1)CCCC3.
What is the InChIKey of methyl 4-oxo-4-(6,7,8,9-tetrahydrodibenzofuran-2-ylamino)butanoate?
The InChIKey is RDXYAMZKXBXZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-21-17(20)9-8-16(19)18-11-6-7-15-13(10-11)12-4-2-3-5-14(12)22-15/h6-7,10H,2-5,8-9H2,1H3,(H,18,19).
What are the key properties of methyl 4-oxo-4-(6,7,8,9-tetrahydrodibenzofuran-2-ylamino)butanoate?
methyl 4-oxo-4-(6,7,8,9-tetrahydrodibenzofuran-2-ylamino)butanoate has a molecular weight of 301.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-4-(6,7,8,9-tetrahydrodibenzofuran-2-ylamino)butanoate is sourced from PubChem (CID 6485557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).