N,N-diethyl-2'-methyl-3,4'-dioxospiro[2-benzofuran-1,5'-furan]-3'-carboxamide

C17H17NO5 — CID 132525720

IUPACN,N-diethyl-2'-methyl-3,4'-dioxospiro[2-benzofuran-1,5'-furan]-3'-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)OC2(OC(=O)c3ccccc32)C1=O
InChIInChI=1S/C17H17NO5/c1-4-18(5-2)15(20)13-10(3)22-17(14(13)19)12-9-7-6-8-11(12)16(21)23-17/h6-9H,4-5H2,1-3H3
InChIKeyITVUDMTWSQBWLM-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.75
Rot. Bonds3

About N,N-diethyl-2'-methyl-3,4'-dioxospiro[2-benzofuran-1,5'-furan]-3'-carboxamide

N,N-diethyl-2'-methyl-3,4'-dioxospiro[2-benzofuran-1,5'-furan]-3'-carboxamide (PubChem CID 132525720) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is N,N-diethyl-2'-methyl-3,4'-dioxospiro[2-benzofuran-1,5'-furan]-3'-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2'-methyl-3,4'-dioxospiro[2-benzofuran-1,5'-furan]-3'-carboxamide
PubChem CID132525720
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC NameN,N-diethyl-2'-methyl-3,4'-dioxospiro[2-benzofuran-1,5'-furan]-3'-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)OC2(OC(=O)c3ccccc32)C1=O
InChIInChI=1S/C17H17NO5/c1-4-18(5-2)15(20)13-10(3)22-17(14(13)19)12-9-7-6-8-11(12)16(21)23-17/h6-9H,4-5H2,1-3H3
InChIKeyITVUDMTWSQBWLM-UHFFFAOYSA-N
XLogP1.75
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2'-methyl-3,4'-dioxospiro[2-benzofuran-1,5'-furan]-3'-carboxamide?
The IUPAC name of N,N-diethyl-2'-methyl-3,4'-dioxospiro[2-benzofuran-1,5'-furan]-3'-carboxamide (CID 132525720) is N,N-diethyl-2'-methyl-3,4'-dioxospiro[2-benzofuran-1,5'-furan]-3'-carboxamide.
What is the SMILES notation for N,N-diethyl-2'-methyl-3,4'-dioxospiro[2-benzofuran-1,5'-furan]-3'-carboxamide?
The canonical SMILES for N,N-diethyl-2'-methyl-3,4'-dioxospiro[2-benzofuran-1,5'-furan]-3'-carboxamide is CCN(CC)C(=O)C1=C(C)OC2(OC(=O)c3ccccc32)C1=O.
What is the InChIKey of N,N-diethyl-2'-methyl-3,4'-dioxospiro[2-benzofuran-1,5'-furan]-3'-carboxamide?
The InChIKey is ITVUDMTWSQBWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-4-18(5-2)15(20)13-10(3)22-17(14(13)19)12-9-7-6-8-11(12)16(21)23-17/h6-9H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2'-methyl-3,4'-dioxospiro[2-benzofuran-1,5'-furan]-3'-carboxamide?
N,N-diethyl-2'-methyl-3,4'-dioxospiro[2-benzofuran-1,5'-furan]-3'-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2'-methyl-3,4'-dioxospiro[2-benzofuran-1,5'-furan]-3'-carboxamide is sourced from PubChem (CID 132525720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).