[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-benzylbenzoate

C20H22N2O5 — CID 2651243

IUPAC[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-benzylbenzoate
SMILESCOCCNC(=O)NC(=O)COC(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C20H22N2O5/c1-26-12-11-21-20(25)22-18(23)14-27-19(24)17-10-6-5-9-16(17)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,21,22,23,25)
InChIKeyLTKGKSMYTJFBTQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.91
Rot. Bonds8

About [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-benzylbenzoate

[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-benzylbenzoate (PubChem CID 2651243) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-benzylbenzoate.

Molecular Properties

Compound Name[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-benzylbenzoate
PubChem CID2651243
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-benzylbenzoate
SMILESCOCCNC(=O)NC(=O)COC(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C20H22N2O5/c1-26-12-11-21-20(25)22-18(23)14-27-19(24)17-10-6-5-9-16(17)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,21,22,23,25)
InChIKeyLTKGKSMYTJFBTQ-UHFFFAOYSA-N
XLogP1.91
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(methylamino)-2-oxoethyl] 2-benzylbenzoate
CID 18074052
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate
CID 2587645
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-benzylbenzoate
CID 7604677
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334495
2-O-[2-(benzylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506533
[2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2715820
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2485089
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2338198
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334993
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2335829
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2715818
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-iodobenzoate
CID 16522270

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-benzylbenzoate?
The IUPAC name of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-benzylbenzoate (CID 2651243) is [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-benzylbenzoate.
What is the SMILES notation for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-benzylbenzoate?
The canonical SMILES for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-benzylbenzoate is COCCNC(=O)NC(=O)COC(=O)c1ccccc1Cc1ccccc1.
What is the InChIKey of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-benzylbenzoate?
The InChIKey is LTKGKSMYTJFBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-26-12-11-21-20(25)22-18(23)14-27-19(24)17-10-6-5-9-16(17)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,21,22,23,25).
What are the key properties of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-benzylbenzoate?
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-benzylbenzoate has a molecular weight of 370.41 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-benzylbenzoate is sourced from PubChem (CID 2651243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).