[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate

C15H20N2O5 — CID 2647794

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)NC(=O)NCC(C)C
InChIInChI=1S/C15H20N2O5/c1-10(2)8-16-15(20)17-13(18)9-22-14(19)11-6-4-5-7-12(11)21-3/h4-7,10H,8-9H2,1-3H3,(H2,16,17,18,20)
InChIKeyIADDVUXIBAGFJU-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.33
Rot. Bonds6

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate (PubChem CID 2647794) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
PubChem CID2647794
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)NC(=O)NCC(C)C
InChIInChI=1S/C15H20N2O5/c1-10(2)8-16-15(20)17-13(18)9-22-14(19)11-6-4-5-7-12(11)21-3/h4-7,10H,8-9H2,1-3H3,(H2,16,17,18,20)
InChIKeyIADDVUXIBAGFJU-UHFFFAOYSA-N
XLogP1.33
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2627819
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2641341
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605824
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2647912
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate
CID 2558366
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7670898
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
CID 2487334
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602816
[2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327251
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691716
2-O-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504459
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 2595744

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate (CID 2647794) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate is COc1ccccc1C(=O)OCC(=O)NC(=O)NCC(C)C.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate?
The InChIKey is IADDVUXIBAGFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-10(2)8-16-15(20)17-13(18)9-22-14(19)11-6-4-5-7-12(11)21-3/h4-7,10H,8-9H2,1-3H3,(H2,16,17,18,20).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate has a molecular weight of 308.33 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate is sourced from PubChem (CID 2647794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).