lithium [(1S)-2-ethoxy-1-phenylethyl]-pentan-3-ylazanide

C15H24LiNO — CID 101174321

IUPAClithium [(1S)-2-ethoxy-1-phenylethyl]-pentan-3-ylazanide
SMILESCCOC[C@@H]([N-]C(CC)CC)c1ccccc1.[Li+]
InChIInChI=1S/C15H24NO.Li/c1-4-14(5-2)16-15(12-17-6-3)13-10-8-7-9-11-13;/h7-11,14-15H,4-6,12H2,1-3H3;/q-1;+1/t15-;/m1./s1
InChIKeyCXPCWZPAHKGTBK-XFULWGLBSA-N
MW241.30 g/mol
LogP1.33
Rot. Bonds8

About lithium [(1S)-2-ethoxy-1-phenylethyl]-pentan-3-ylazanide

lithium [(1S)-2-ethoxy-1-phenylethyl]-pentan-3-ylazanide (PubChem CID 101174321) has the molecular formula C15H24LiNO and a molecular weight of 241.30 g/mol. Its IUPAC name is lithium [(1S)-2-ethoxy-1-phenylethyl]-pentan-3-ylazanide.

Molecular Properties

Compound Namelithium [(1S)-2-ethoxy-1-phenylethyl]-pentan-3-ylazanide
PubChem CID101174321
Molecular FormulaC15H24LiNO
Molecular Weight241.30 g/mol
Exact Mass241.20
IUPAC Namelithium [(1S)-2-ethoxy-1-phenylethyl]-pentan-3-ylazanide
SMILESCCOC[C@@H]([N-]C(CC)CC)c1ccccc1.[Li+]
InChIInChI=1S/C15H24NO.Li/c1-4-14(5-2)16-15(12-17-6-3)13-10-8-7-9-11-13;/h7-11,14-15H,4-6,12H2,1-3H3;/q-1;+1/t15-;/m1./s1
InChIKeyCXPCWZPAHKGTBK-XFULWGLBSA-N
XLogP1.33
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

lithium pentan-3-yl-[(1S)-1-phenylethyl]azanide
CID 102301951
(1-ethoxy-3-methylbutan-2-yl)benzene
CID 67083909
[(1S)-2-ethoxy-1-methoxyethyl]benzene
CID 155459528
(2-ethoxy-1-propoxyethyl)benzene
CID 54522303
[(2R)-4-ethoxybutan-2-yl]benzene
CID 67208388
tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate
CID 141256411
2-(1-ethoxypropan-2-yloxy)-1-phenylethanol
CID 103489701
[ethoxy(2-ethoxyethoxy)methyl]benzene
CID 139725273
propyl 3-ethoxy-2-phenylpropanoate
CID 138629515
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638
1-ethoxy-3-phenylsulfanylpropan-2-amine
CID 79573957
ethoxyethane;2-phenylpropanoic acid
CID 174766454

Frequently Asked Questions

What is the IUPAC name of lithium [(1S)-2-ethoxy-1-phenylethyl]-pentan-3-ylazanide?
The IUPAC name of lithium [(1S)-2-ethoxy-1-phenylethyl]-pentan-3-ylazanide (CID 101174321) is lithium [(1S)-2-ethoxy-1-phenylethyl]-pentan-3-ylazanide.
What is the SMILES notation for lithium [(1S)-2-ethoxy-1-phenylethyl]-pentan-3-ylazanide?
The canonical SMILES for lithium [(1S)-2-ethoxy-1-phenylethyl]-pentan-3-ylazanide is CCOC[C@@H]([N-]C(CC)CC)c1ccccc1.[Li+].
What is the InChIKey of lithium [(1S)-2-ethoxy-1-phenylethyl]-pentan-3-ylazanide?
The InChIKey is CXPCWZPAHKGTBK-XFULWGLBSA-N. The full InChI is InChI=1S/C15H24NO.Li/c1-4-14(5-2)16-15(12-17-6-3)13-10-8-7-9-11-13;/h7-11,14-15H,4-6,12H2,1-3H3;/q-1;+1/t15-;/m1./s1.
What are the key properties of lithium [(1S)-2-ethoxy-1-phenylethyl]-pentan-3-ylazanide?
lithium [(1S)-2-ethoxy-1-phenylethyl]-pentan-3-ylazanide has a molecular weight of 241.30 g/mol, XLogP of 1.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(1S)-2-ethoxy-1-phenylethyl]-pentan-3-ylazanide is sourced from PubChem (CID 101174321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).