[2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate

C15H20N2O6 — CID 2561800

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)NC(=O)NC)cc1OCC
InChIInChI=1S/C15H20N2O6/c1-4-21-11-7-6-10(8-12(11)22-5-2)14(19)23-9-13(18)17-15(20)16-3/h6-8H,4-5,9H2,1-3H3,(H2,16,17,18,20)
InChIKeyZCPAJCONHPEZIZ-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.10
Rot. Bonds7

About [2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate

[2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate (PubChem CID 2561800) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate
PubChem CID2561800
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)NC(=O)NC)cc1OCC
InChIInChI=1S/C15H20N2O6/c1-4-21-11-7-6-10(8-12(11)22-5-2)14(19)23-9-13(18)17-15(20)16-3/h6-8H,4-5,9H2,1-3H3,(H2,16,17,18,20)
InChIKeyZCPAJCONHPEZIZ-UHFFFAOYSA-N
XLogP1.10
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 16527888
[2-(carbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 2535390
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate
CID 29394084
[2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate
CID 8537066
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558614
ethyl 3,4-diethoxybenzoate
CID 586407
[2-(carbamoylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
CID 61322799
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561837
[2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507436
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 8952991
[2-(methylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-ethoxybenzoate
CID 7684481
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 8572691

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate (CID 2561800) is [2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)NC(=O)NC)cc1OCC.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate?
The InChIKey is ZCPAJCONHPEZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-4-21-11-7-6-10(8-12(11)22-5-2)14(19)23-9-13(18)17-15(20)16-3/h6-8H,4-5,9H2,1-3H3,(H2,16,17,18,20).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate?
[2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate has a molecular weight of 324.33 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate is sourced from PubChem (CID 2561800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).