lithium ethyl-[[2-(methylcarbamoyl)phenyl]-phenylmethyl]azanide

C17H19LiN2O — CID 10564232

IUPAClithium ethyl-[[2-(methylcarbamoyl)phenyl]-phenylmethyl]azanide
SMILESCC[N-]C(c1ccccc1)c1ccccc1C(=O)NC.[Li+]
InChIInChI=1S/C17H19N2O.Li/c1-3-19-16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)17(20)18-2;/h4-12,16H,3H2,1-2H3,(H,18,20);/q-1;+1
InChIKeyRTNAZAYWZONUJE-UHFFFAOYSA-N
MW274.29 g/mol
LogP0.53
Rot. Bonds5

About lithium ethyl-[[2-(methylcarbamoyl)phenyl]-phenylmethyl]azanide

lithium ethyl-[[2-(methylcarbamoyl)phenyl]-phenylmethyl]azanide (PubChem CID 10564232) has the molecular formula C17H19LiN2O and a molecular weight of 274.29 g/mol. Its IUPAC name is lithium ethyl-[[2-(methylcarbamoyl)phenyl]-phenylmethyl]azanide.

Molecular Properties

Compound Namelithium ethyl-[[2-(methylcarbamoyl)phenyl]-phenylmethyl]azanide
PubChem CID10564232
Molecular FormulaC17H19LiN2O
Molecular Weight274.29 g/mol
Exact Mass274.17
IUPAC Namelithium ethyl-[[2-(methylcarbamoyl)phenyl]-phenylmethyl]azanide
SMILESCC[N-]C(c1ccccc1)c1ccccc1C(=O)NC.[Li+]
InChIInChI=1S/C17H19N2O.Li/c1-3-19-16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)17(20)18-2;/h4-12,16H,3H2,1-2H3,(H,18,20);/q-1;+1
InChIKeyRTNAZAYWZONUJE-UHFFFAOYSA-N
XLogP0.53
TPSA43.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(hydroxyamino)butyl]-N-methylbenzamide
CID 134294067
2-[bis(trimethylsilyl)methyl]-N-methylbenzamide
CID 10637506
2-[hydroxy(phenyl)methyl]benzohydrazide
CID 54150972
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide
CID 11954
N-methyl-2-(3-phenylbutanoylamino)benzamide
CID 110606644
N,N'-dimethyl-2,3-diphenylbutanediamide
CID 15634660
2-hydroxysulfanyl-N-methylbenzamide
CID 91017491
N-methyl-2-[(S)-[(1R)-4-methyl-1-phenylpentyl]sulfinyl]benzamide
CID 11439328
ethane;N-methylbenzamide;2-methylpropane
CID 161462553
3-hydroxy-N-methyl-2-phenylpropanamide
CID 13215111

Frequently Asked Questions

What is the IUPAC name of lithium ethyl-[[2-(methylcarbamoyl)phenyl]-phenylmethyl]azanide?
The IUPAC name of lithium ethyl-[[2-(methylcarbamoyl)phenyl]-phenylmethyl]azanide (CID 10564232) is lithium ethyl-[[2-(methylcarbamoyl)phenyl]-phenylmethyl]azanide.
What is the SMILES notation for lithium ethyl-[[2-(methylcarbamoyl)phenyl]-phenylmethyl]azanide?
The canonical SMILES for lithium ethyl-[[2-(methylcarbamoyl)phenyl]-phenylmethyl]azanide is CC[N-]C(c1ccccc1)c1ccccc1C(=O)NC.[Li+].
What is the InChIKey of lithium ethyl-[[2-(methylcarbamoyl)phenyl]-phenylmethyl]azanide?
The InChIKey is RTNAZAYWZONUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N2O.Li/c1-3-19-16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)17(20)18-2;/h4-12,16H,3H2,1-2H3,(H,18,20);/q-1;+1.
What are the key properties of lithium ethyl-[[2-(methylcarbamoyl)phenyl]-phenylmethyl]azanide?
lithium ethyl-[[2-(methylcarbamoyl)phenyl]-phenylmethyl]azanide has a molecular weight of 274.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium ethyl-[[2-(methylcarbamoyl)phenyl]-phenylmethyl]azanide is sourced from PubChem (CID 10564232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).