[2-oxo-2-(propylcarbamoylamino)ethyl] 3-methoxybenzoate

C14H18N2O5 — CID 7703073

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 3-methoxybenzoate
SMILESCCCNC(=O)NC(=O)COC(=O)c1cccc(OC)c1
InChIInChI=1S/C14H18N2O5/c1-3-7-15-14(19)16-12(17)9-21-13(18)10-5-4-6-11(8-10)20-2/h4-6,8H,3,7,9H2,1-2H3,(H2,15,16,17,19)
InChIKeyGDGBWTOJKKFPJQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.09
Rot. Bonds6

About [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methoxybenzoate

[2-oxo-2-(propylcarbamoylamino)ethyl] 3-methoxybenzoate (PubChem CID 7703073) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 3-methoxybenzoate
PubChem CID7703073
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 3-methoxybenzoate
SMILESCCCNC(=O)NC(=O)COC(=O)c1cccc(OC)c1
InChIInChI=1S/C14H18N2O5/c1-3-7-15-14(19)16-12(17)9-21-13(18)10-5-4-6-11(8-10)20-2/h4-6,8H,3,7,9H2,1-2H3,(H2,15,16,17,19)
InChIKeyGDGBWTOJKKFPJQ-UHFFFAOYSA-N
XLogP1.09
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-methoxybenzoate
CID 7986023
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-methoxybenzoate
CID 40762758
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate
CID 2607035
[2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860529
[2-oxo-2-(propylamino)ethyl] 3,5-dimethoxybenzoate
CID 2516393
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619206
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-iodobenzoate
CID 16522270
[2-oxo-2-(propylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186892
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577669
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate
CID 2612537
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(4-acetyloxyphenyl)benzoate
CID 7807585
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-methoxybenzoate
CID 8866793

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methoxybenzoate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methoxybenzoate (CID 7703073) is [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methoxybenzoate is CCCNC(=O)NC(=O)COC(=O)c1cccc(OC)c1.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methoxybenzoate?
The InChIKey is GDGBWTOJKKFPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-3-7-15-14(19)16-12(17)9-21-13(18)10-5-4-6-11(8-10)20-2/h4-6,8H,3,7,9H2,1-2H3,(H2,15,16,17,19).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methoxybenzoate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-methoxybenzoate has a molecular weight of 294.31 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methoxybenzoate is sourced from PubChem (CID 7703073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).