lithium N,N-diethyl-4-methoxy-2-propan-2-ylbenzene-6-ide-1-carboxamide

C15H22LiNO2 — CID 10264339

IUPAClithium N,N-diethyl-4-methoxy-2-propan-2-ylbenzene-6-ide-1-carboxamide
SMILESCCN(CC)C(=O)c1[c-]cc(OC)cc1C(C)C.[Li+]
InChIInChI=1S/C15H22NO2.Li/c1-6-16(7-2)15(17)13-9-8-12(18-5)10-14(13)11(3)4;/h8,10-11H,6-7H2,1-5H3;/q-1;+1
InChIKeyLMCNGCWVUJDVNI-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.10
Rot. Bonds5

About lithium N,N-diethyl-4-methoxy-2-propan-2-ylbenzene-6-ide-1-carboxamide

lithium N,N-diethyl-4-methoxy-2-propan-2-ylbenzene-6-ide-1-carboxamide (PubChem CID 10264339) has the molecular formula C15H22LiNO2 and a molecular weight of 255.29 g/mol. Its IUPAC name is lithium N,N-diethyl-4-methoxy-2-propan-2-ylbenzene-6-ide-1-carboxamide.

Molecular Properties

Compound Namelithium N,N-diethyl-4-methoxy-2-propan-2-ylbenzene-6-ide-1-carboxamide
PubChem CID10264339
Molecular FormulaC15H22LiNO2
Molecular Weight255.29 g/mol
Exact Mass255.18
IUPAC Namelithium N,N-diethyl-4-methoxy-2-propan-2-ylbenzene-6-ide-1-carboxamide
SMILESCCN(CC)C(=O)c1[c-]cc(OC)cc1C(C)C.[Li+]
InChIInChI=1S/C15H22NO2.Li/c1-6-16(7-2)15(17)13-9-8-12(18-5)10-14(13)11(3)4;/h8,10-11H,6-7H2,1-5H3;/q-1;+1
InChIKeyLMCNGCWVUJDVNI-UHFFFAOYSA-N
XLogP0.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium N,N-diethyl-4-methoxy-2-propan-2-ylbenzene-6-ide-1-carboxamide?
The IUPAC name of lithium N,N-diethyl-4-methoxy-2-propan-2-ylbenzene-6-ide-1-carboxamide (CID 10264339) is lithium N,N-diethyl-4-methoxy-2-propan-2-ylbenzene-6-ide-1-carboxamide.
What is the SMILES notation for lithium N,N-diethyl-4-methoxy-2-propan-2-ylbenzene-6-ide-1-carboxamide?
The canonical SMILES for lithium N,N-diethyl-4-methoxy-2-propan-2-ylbenzene-6-ide-1-carboxamide is CCN(CC)C(=O)c1[c-]cc(OC)cc1C(C)C.[Li+].
What is the InChIKey of lithium N,N-diethyl-4-methoxy-2-propan-2-ylbenzene-6-ide-1-carboxamide?
The InChIKey is LMCNGCWVUJDVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO2.Li/c1-6-16(7-2)15(17)13-9-8-12(18-5)10-14(13)11(3)4;/h8,10-11H,6-7H2,1-5H3;/q-1;+1.
What are the key properties of lithium N,N-diethyl-4-methoxy-2-propan-2-ylbenzene-6-ide-1-carboxamide?
lithium N,N-diethyl-4-methoxy-2-propan-2-ylbenzene-6-ide-1-carboxamide has a molecular weight of 255.29 g/mol, XLogP of 0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-diethyl-4-methoxy-2-propan-2-ylbenzene-6-ide-1-carboxamide is sourced from PubChem (CID 10264339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).