lithium N-(2-hydroxyethyl)-2-methanidyl-N-(1-phenylcyclopentyl)benzamide

C21H24LiNO2 — CID 10616333

IUPAClithium N-(2-hydroxyethyl)-2-methanidyl-N-(1-phenylcyclopentyl)benzamide
SMILES[CH2-]c1ccccc1C(=O)N(CCO)C1(c2ccccc2)CCCC1.[Li+]
InChIInChI=1S/C21H24NO2.Li/c1-17-9-5-6-12-19(17)20(24)22(15-16-23)21(13-7-8-14-21)18-10-3-2-4-11-18;/h2-6,9-12,23H,1,7-8,13-16H2;/q-1;+1
InChIKeySJTXZVBGGMSAGV-UHFFFAOYSA-N
MW329.37 g/mol
LogP0.78
Rot. Bonds5

About lithium N-(2-hydroxyethyl)-2-methanidyl-N-(1-phenylcyclopentyl)benzamide

lithium N-(2-hydroxyethyl)-2-methanidyl-N-(1-phenylcyclopentyl)benzamide (PubChem CID 10616333) has the molecular formula C21H24LiNO2 and a molecular weight of 329.37 g/mol. Its IUPAC name is lithium N-(2-hydroxyethyl)-2-methanidyl-N-(1-phenylcyclopentyl)benzamide.

Molecular Properties

Compound Namelithium N-(2-hydroxyethyl)-2-methanidyl-N-(1-phenylcyclopentyl)benzamide
PubChem CID10616333
Molecular FormulaC21H24LiNO2
Molecular Weight329.37 g/mol
Exact Mass329.20
IUPAC Namelithium N-(2-hydroxyethyl)-2-methanidyl-N-(1-phenylcyclopentyl)benzamide
SMILES[CH2-]c1ccccc1C(=O)N(CCO)C1(c2ccccc2)CCCC1.[Li+]
InChIInChI=1S/C21H24NO2.Li/c1-17-9-5-6-12-19(17)20(24)22(15-16-23)21(13-7-8-14-21)18-10-3-2-4-11-18;/h2-6,9-12,23H,1,7-8,13-16H2;/q-1;+1
InChIKeySJTXZVBGGMSAGV-UHFFFAOYSA-N
XLogP0.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium (Z)-[2-hydroxyethyl-(1-phenylcyclopentyl)amino]-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate
CID 23691356
N',N'-bis(2-hydroxyethyl)-N-[(1-phenylcyclopentyl)methyl]oxamide
CID 3749480
2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-N-(2-hydroxyethyl)-5-methyl-N-(1-phenylcyclopentyl)benzamide
CID 10653282
N-cyclopropyl-N-(2-hydroxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 43576656
N-cyclobutyl-N-(2-hydroxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 102867305
2-(1-phenylcyclohexyl)benzoic acid
CID 67822323
N-(2-aminoethyl)-2-bromo-N-(1-phenylcyclopropyl)acetamide
CID 138471913
1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 54870816
N-cyclopropyl-N-(2-hydroxyethyl)-1-phenylcyclopropane-1-carboxamide
CID 43577241
1-N,2-N-bis(2-hydroxyethyl)-1-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 54303134
2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60662044
1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 62115129

Frequently Asked Questions

What is the IUPAC name of lithium N-(2-hydroxyethyl)-2-methanidyl-N-(1-phenylcyclopentyl)benzamide?
The IUPAC name of lithium N-(2-hydroxyethyl)-2-methanidyl-N-(1-phenylcyclopentyl)benzamide (CID 10616333) is lithium N-(2-hydroxyethyl)-2-methanidyl-N-(1-phenylcyclopentyl)benzamide.
What is the SMILES notation for lithium N-(2-hydroxyethyl)-2-methanidyl-N-(1-phenylcyclopentyl)benzamide?
The canonical SMILES for lithium N-(2-hydroxyethyl)-2-methanidyl-N-(1-phenylcyclopentyl)benzamide is [CH2-]c1ccccc1C(=O)N(CCO)C1(c2ccccc2)CCCC1.[Li+].
What is the InChIKey of lithium N-(2-hydroxyethyl)-2-methanidyl-N-(1-phenylcyclopentyl)benzamide?
The InChIKey is SJTXZVBGGMSAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24NO2.Li/c1-17-9-5-6-12-19(17)20(24)22(15-16-23)21(13-7-8-14-21)18-10-3-2-4-11-18;/h2-6,9-12,23H,1,7-8,13-16H2;/q-1;+1.
What are the key properties of lithium N-(2-hydroxyethyl)-2-methanidyl-N-(1-phenylcyclopentyl)benzamide?
lithium N-(2-hydroxyethyl)-2-methanidyl-N-(1-phenylcyclopentyl)benzamide has a molecular weight of 329.37 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-(2-hydroxyethyl)-2-methanidyl-N-(1-phenylcyclopentyl)benzamide is sourced from PubChem (CID 10616333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).