lithium phenylmethyl N-benzyl-N-ethylcarbamate

C17H18LiNO2 — CID 134905455

IUPAClithium phenylmethyl N-benzyl-N-ethylcarbamate
SMILESCCN(Cc1ccccc1)C(=O)O[CH-]c1ccccc1.[Li+]
InChIInChI=1S/C17H18NO2.Li/c1-2-18(13-15-9-5-3-6-10-15)17(19)20-14-16-11-7-4-8-12-16;/h3-12,14H,2,13H2,1H3;/q-1;+1
InChIKeyOHHHVNOMRSPAGB-UHFFFAOYSA-N
MW275.28 g/mol
LogP0.86
Rot. Bonds5

About lithium phenylmethyl N-benzyl-N-ethylcarbamate

lithium phenylmethyl N-benzyl-N-ethylcarbamate (PubChem CID 134905455) has the molecular formula C17H18LiNO2 and a molecular weight of 275.28 g/mol. Its IUPAC name is lithium phenylmethyl N-benzyl-N-ethylcarbamate.

Molecular Properties

Compound Namelithium phenylmethyl N-benzyl-N-ethylcarbamate
PubChem CID134905455
Molecular FormulaC17H18LiNO2
Molecular Weight275.28 g/mol
Exact Mass275.15
IUPAC Namelithium phenylmethyl N-benzyl-N-ethylcarbamate
SMILESCCN(Cc1ccccc1)C(=O)O[CH-]c1ccccc1.[Li+]
InChIInChI=1S/C17H18NO2.Li/c1-2-18(13-15-9-5-3-6-10-15)17(19)20-14-16-11-7-4-8-12-16;/h3-12,14H,2,13H2,1H3;/q-1;+1
InChIKeyOHHHVNOMRSPAGB-UHFFFAOYSA-N
XLogP0.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-benzyl-N-ethylcarbamate
CID 70968693
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
(methoxycarbonylamino) N-benzyl-N-ethylcarbamate
CID 21389979
(111C)methyl N,N-dibenzylcarbamate
CID 10106358
1-benzyl-1,3-diethyl-3-methylurea
CID 116654057
1-benzyl-1,3-diethyl-3-sulfanylurea
CID 88794196
2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide
CID 4780411
N-benzyl-2-bromo-N-ethylpropanamide
CID 82108939
3-[benzyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82812836

Frequently Asked Questions

What is the IUPAC name of lithium phenylmethyl N-benzyl-N-ethylcarbamate?
The IUPAC name of lithium phenylmethyl N-benzyl-N-ethylcarbamate (CID 134905455) is lithium phenylmethyl N-benzyl-N-ethylcarbamate.
What is the SMILES notation for lithium phenylmethyl N-benzyl-N-ethylcarbamate?
The canonical SMILES for lithium phenylmethyl N-benzyl-N-ethylcarbamate is CCN(Cc1ccccc1)C(=O)O[CH-]c1ccccc1.[Li+].
What is the InChIKey of lithium phenylmethyl N-benzyl-N-ethylcarbamate?
The InChIKey is OHHHVNOMRSPAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18NO2.Li/c1-2-18(13-15-9-5-3-6-10-15)17(19)20-14-16-11-7-4-8-12-16;/h3-12,14H,2,13H2,1H3;/q-1;+1.
What are the key properties of lithium phenylmethyl N-benzyl-N-ethylcarbamate?
lithium phenylmethyl N-benzyl-N-ethylcarbamate has a molecular weight of 275.28 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium phenylmethyl N-benzyl-N-ethylcarbamate is sourced from PubChem (CID 134905455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).