lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-phenylethyl]azanide

C19H26LiNO3 — CID 134889225

IUPAClithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-phenylethyl]azanide
SMILESCOC[C@@H]([N-]C(=O)OC/C=C/C1CCCCC1)c1ccccc1.[Li+]
InChIInChI=1S/C19H27NO3.Li/c1-22-15-18(17-12-6-3-7-13-17)20-19(21)23-14-8-11-16-9-4-2-5-10-16;/h3,6-8,11-13,16,18H,2,4-5,9-10,14-15H2,1H3,(H,20,21);/q;+1/p-1/b11-8+;/t18-;/m1./s1
InChIKeyQMGCDWICJAHSKH-BCZBIICQSA-M
MW323.36 g/mol
LogP2.02
Rot. Bonds7

About lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-phenylethyl]azanide

lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-phenylethyl]azanide (PubChem CID 134889225) has the molecular formula C19H26LiNO3 and a molecular weight of 323.36 g/mol. Its IUPAC name is lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-phenylethyl]azanide.

Molecular Properties

Compound Namelithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-phenylethyl]azanide
PubChem CID134889225
Molecular FormulaC19H26LiNO3
Molecular Weight323.36 g/mol
Exact Mass323.21
IUPAC Namelithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-phenylethyl]azanide
SMILESCOC[C@@H]([N-]C(=O)OC/C=C/C1CCCCC1)c1ccccc1.[Li+]
InChIInChI=1S/C19H27NO3.Li/c1-22-15-18(17-12-6-3-7-13-17)20-19(21)23-14-8-11-16-9-4-2-5-10-16;/h3,6-8,11-13,16,18H,2,4-5,9-10,14-15H2,1H3,(H,20,21);/q;+1/p-1/b11-8+;/t18-;/m1./s1
InChIKeyQMGCDWICJAHSKH-BCZBIICQSA-M
XLogP2.02
TPSA49.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-naphthalen-1-ylethyl]azanide
CID 134889316
3-cyclohexylprop-2-enyl hydrogen carbonate
CID 139900277
(E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 73334860
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
N-(2-aminoethyl)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 63753347
ethyl (2R)-3-cyclopentyl-2-phenylpropanoate
CID 129391453
(1R,2S)-1-cyclohexylsulfanyl-3-methoxy-1-phenylpropan-2-ol
CID 46211076
methyl 2-amino-3-cyclohexyl-3-phenylpropanoate;hydrochloride
CID 175237922
ethyl (3S)-3-cyclohexyl-3-phenylpropanoate
CID 125468052
1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea
CID 110012205
[(E)-3-[(1R,2R)-1-hydroxy-2-phenylcyclohexyl]prop-2-enyl] methyl carbonate
CID 101343776
ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate
CID 60811477

Frequently Asked Questions

What is the IUPAC name of lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-phenylethyl]azanide?
The IUPAC name of lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-phenylethyl]azanide (CID 134889225) is lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-phenylethyl]azanide.
What is the SMILES notation for lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-phenylethyl]azanide?
The canonical SMILES for lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-phenylethyl]azanide is COC[C@@H]([N-]C(=O)OC/C=C/C1CCCCC1)c1ccccc1.[Li+].
What is the InChIKey of lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-phenylethyl]azanide?
The InChIKey is QMGCDWICJAHSKH-BCZBIICQSA-M. The full InChI is InChI=1S/C19H27NO3.Li/c1-22-15-18(17-12-6-3-7-13-17)20-19(21)23-14-8-11-16-9-4-2-5-10-16;/h3,6-8,11-13,16,18H,2,4-5,9-10,14-15H2,1H3,(H,20,21);/q;+1/p-1/b11-8+;/t18-;/m1./s1.
What are the key properties of lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-phenylethyl]azanide?
lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-phenylethyl]azanide has a molecular weight of 323.36 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-phenylethyl]azanide is sourced from PubChem (CID 134889225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).