lithium N,N-diethyl-3,4-bis(methoxymethoxy)benzene-2-ide-1-carboxamide

C15H22LiNO5 — CID 10402707

IUPAClithium N,N-diethyl-3,4-bis(methoxymethoxy)benzene-2-ide-1-carboxamide
SMILESCCN(CC)C(=O)c1[c-]c(OCOC)c(OCOC)cc1.[Li+]
InChIInChI=1S/C15H22NO5.Li/c1-5-16(6-2)15(17)12-7-8-13(20-10-18-3)14(9-12)21-11-19-4;/h7-8H,5-6,10-11H2,1-4H3;/q-1;+1
InChIKeyDTLHEZKJGMSCEY-UHFFFAOYSA-N
MW303.28 g/mol
LogP-1.06
Rot. Bonds9

About lithium N,N-diethyl-3,4-bis(methoxymethoxy)benzene-2-ide-1-carboxamide

lithium N,N-diethyl-3,4-bis(methoxymethoxy)benzene-2-ide-1-carboxamide (PubChem CID 10402707) has the molecular formula C15H22LiNO5 and a molecular weight of 303.28 g/mol. Its IUPAC name is lithium N,N-diethyl-3,4-bis(methoxymethoxy)benzene-2-ide-1-carboxamide.

Molecular Properties

Compound Namelithium N,N-diethyl-3,4-bis(methoxymethoxy)benzene-2-ide-1-carboxamide
PubChem CID10402707
Molecular FormulaC15H22LiNO5
Molecular Weight303.28 g/mol
Exact Mass303.17
IUPAC Namelithium N,N-diethyl-3,4-bis(methoxymethoxy)benzene-2-ide-1-carboxamide
SMILESCCN(CC)C(=O)c1[c-]c(OCOC)c(OCOC)cc1.[Li+]
InChIInChI=1S/C15H22NO5.Li/c1-5-16(6-2)15(17)12-7-8-13(20-10-18-3)14(9-12)21-11-19-4;/h7-8H,5-6,10-11H2,1-4H3;/q-1;+1
InChIKeyDTLHEZKJGMSCEY-UHFFFAOYSA-N
XLogP-1.06
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 5-1.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium N,N-diethyl-3,4-bis(methoxymethoxy)benzene-2-ide-1-carboxamide?
The IUPAC name of lithium N,N-diethyl-3,4-bis(methoxymethoxy)benzene-2-ide-1-carboxamide (CID 10402707) is lithium N,N-diethyl-3,4-bis(methoxymethoxy)benzene-2-ide-1-carboxamide.
What is the SMILES notation for lithium N,N-diethyl-3,4-bis(methoxymethoxy)benzene-2-ide-1-carboxamide?
The canonical SMILES for lithium N,N-diethyl-3,4-bis(methoxymethoxy)benzene-2-ide-1-carboxamide is CCN(CC)C(=O)c1[c-]c(OCOC)c(OCOC)cc1.[Li+].
What is the InChIKey of lithium N,N-diethyl-3,4-bis(methoxymethoxy)benzene-2-ide-1-carboxamide?
The InChIKey is DTLHEZKJGMSCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO5.Li/c1-5-16(6-2)15(17)12-7-8-13(20-10-18-3)14(9-12)21-11-19-4;/h7-8H,5-6,10-11H2,1-4H3;/q-1;+1.
What are the key properties of lithium N,N-diethyl-3,4-bis(methoxymethoxy)benzene-2-ide-1-carboxamide?
lithium N,N-diethyl-3,4-bis(methoxymethoxy)benzene-2-ide-1-carboxamide has a molecular weight of 303.28 g/mol, XLogP of -1.06, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-diethyl-3,4-bis(methoxymethoxy)benzene-2-ide-1-carboxamide is sourced from PubChem (CID 10402707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).