[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate

C16H22N2O5 — CID 9230199

IUPAC[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COC(=O)COC)c1
InChIInChI=1S/C16H22N2O5/c1-4-18(5-2)16(21)12-7-6-8-13(9-12)17-14(19)10-23-15(20)11-22-3/h6-9H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyMCWCIVBLBQQAMT-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.30
Rot. Bonds8

About [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate

[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate (PubChem CID 9230199) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate.

Molecular Properties

Compound Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
PubChem CID9230199
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COC(=O)COC)c1
InChIInChI=1S/C16H22N2O5/c1-4-18(5-2)16(21)12-7-6-8-13(9-12)17-14(19)10-23-15(20)11-22-3/h6-9H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyMCWCIVBLBQQAMT-UHFFFAOYSA-N
XLogP1.30
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 8808978
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 8579079
4-O-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 9015295
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate
CID 8560767
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 9197048
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290674
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9007671
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 8568240
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 9009066
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289521
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 9348351
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate?
The IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate (CID 9230199) is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate.
What is the SMILES notation for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate?
The canonical SMILES for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate is CCN(CC)C(=O)c1cccc(NC(=O)COC(=O)COC)c1.
What is the InChIKey of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate?
The InChIKey is MCWCIVBLBQQAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-4-18(5-2)16(21)12-7-6-8-13(9-12)17-14(19)10-23-15(20)11-22-3/h6-9H,4-5,10-11H2,1-3H3,(H,17,19).
What are the key properties of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate?
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate has a molecular weight of 322.36 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate is sourced from PubChem (CID 9230199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).