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

C23H28LiNO3 — CID 134889316

IUPAClithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-naphthalen-1-ylethyl]azanide
SMILESCOC[C@@H]([N-]C(=O)OC/C=C/C1CCCCC1)c1cccc2ccccc12.[Li+]
InChIInChI=1S/C23H29NO3.Li/c1-26-17-22(21-15-7-13-19-12-5-6-14-20(19)21)24-23(25)27-16-8-11-18-9-3-2-4-10-18;/h5-8,11-15,18,22H,2-4,9-10,16-17H2,1H3,(H,24,25);/q;+1/p-1/b11-8+;/t22-;/m1./s1
InChIKeyRILWVVLCJFVYQI-OADNXLBASA-M
MW373.42 g/mol
LogP3.18
Rot. Bonds7

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

lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-naphthalen-1-ylethyl]azanide (PubChem CID 134889316) has the molecular formula C23H28LiNO3 and a molecular weight of 373.42 g/mol. Its IUPAC name is lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-naphthalen-1-ylethyl]azanide.

Molecular Properties

Compound Namelithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-naphthalen-1-ylethyl]azanide
PubChem CID134889316
Molecular FormulaC23H28LiNO3
Molecular Weight373.42 g/mol
Exact Mass373.22
IUPAC Namelithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-naphthalen-1-ylethyl]azanide
SMILESCOC[C@@H]([N-]C(=O)OC/C=C/C1CCCCC1)c1cccc2ccccc12.[Li+]
InChIInChI=1S/C23H29NO3.Li/c1-26-17-22(21-15-7-13-19-12-5-6-14-20(19)21)24-23(25)27-16-8-11-18-9-3-2-4-10-18;/h5-8,11-15,18,22H,2-4,9-10,16-17H2,1H3,(H,24,25);/q;+1/p-1/b11-8+;/t22-;/m1./s1
InChIKeyRILWVVLCJFVYQI-OADNXLBASA-M
XLogP3.18
TPSA49.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-naphthalen-1-ylethyl]azanide with MolForge

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Related Compounds

[cyclohexyl(naphthalen-1-yl)methyl] acetate
CID 150589052
diethyl 2-[(S)-naphthalen-1-yl-[(1S)-2-oxocyclohexyl]methyl]propanedioate
CID 16681484
3-methoxy-2-naphthalen-1-ylpropanoic acid
CID 84752957
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
2-cyclohexyl-2-methoxy-1-naphthalen-1-ylethanol
CID 116756473
bis(2-cyclohexyl-1-naphthalen-1-yl-2-oxoethyl) (E)-but-2-enedioate
CID 141044789
2-cycloheptyl-1-naphthalen-1-ylethanamine
CID 114457695
(1R,2R)-3-amino-1-cyclohexyl-2-naphthalen-1-ylpropan-1-ol
CID 69271499
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
(3R)-3-amino-4-cyclohexyl-1-(1-naphthalen-1-ylethylamino)-1-oxobutan-2-olate
CID 144731844
dimethyl 2-[(1S)-1-naphthalen-1-ylprop-2-enyl]propanedioate
CID 11001003

Frequently Asked Questions

What is the IUPAC name of lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-naphthalen-1-ylethyl]azanide?
The IUPAC name of lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-naphthalen-1-ylethyl]azanide (CID 134889316) is lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-naphthalen-1-ylethyl]azanide.
What is the SMILES notation for lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-naphthalen-1-ylethyl]azanide?
The canonical SMILES for lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-naphthalen-1-ylethyl]azanide is COC[C@@H]([N-]C(=O)OC/C=C/C1CCCCC1)c1cccc2ccccc12.[Li+].
What is the InChIKey of lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-naphthalen-1-ylethyl]azanide?
The InChIKey is RILWVVLCJFVYQI-OADNXLBASA-M. The full InChI is InChI=1S/C23H29NO3.Li/c1-26-17-22(21-15-7-13-19-12-5-6-14-20(19)21)24-23(25)27-16-8-11-18-9-3-2-4-10-18;/h5-8,11-15,18,22H,2-4,9-10,16-17H2,1H3,(H,24,25);/q;+1/p-1/b11-8+;/t22-;/m1./s1.
What are the key properties of lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-naphthalen-1-ylethyl]azanide?
lithium [(E)-3-cyclohexylprop-2-enoxy]carbonyl-[(1S)-2-methoxy-1-naphthalen-1-ylethyl]azanide has a molecular weight of 373.42 g/mol, XLogP of 3.18, 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-naphthalen-1-ylethyl]azanide is sourced from PubChem (CID 134889316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).