[2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] benzoate

C15H20N2O5 — CID 7515099

IUPAC[2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] benzoate
SMILESCCOCCCNC(=O)NC(=O)COC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O5/c1-2-21-10-6-9-16-15(20)17-13(18)11-22-14(19)12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H2,16,17,18,20)
InChIKeyLTQIANXITLTWLV-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.10
Rot. Bonds8

About [2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] benzoate

[2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] benzoate (PubChem CID 7515099) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is [2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] benzoate
PubChem CID7515099
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name[2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] benzoate
SMILESCCOCCCNC(=O)NC(=O)COC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O5/c1-2-21-10-6-9-16-15(20)17-13(18)11-22-14(19)12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H2,16,17,18,20)
InChIKeyLTQIANXITLTWLV-UHFFFAOYSA-N
XLogP1.10
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.10
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-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 7887456
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate
CID 2516996
[2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 26728415
[2-(ethoxycarbonylamino)-2-oxoethyl] benzoate
CID 2516974
N-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide
CID 4823165
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate
CID 2607035
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate
CID 2612537
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621703
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-methoxybenzoate
CID 7703073
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate
CID 29394084
[2-(methylamino)-2-oxoethyl] benzoate
CID 14033068
[2-(butylcarbamoylamino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 8951883

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] benzoate?
The IUPAC name of [2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] benzoate (CID 7515099) is [2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] benzoate is CCOCCCNC(=O)NC(=O)COC(=O)c1ccccc1.
What is the InChIKey of [2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] benzoate?
The InChIKey is LTQIANXITLTWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-2-21-10-6-9-16-15(20)17-13(18)11-22-14(19)12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H2,16,17,18,20).
What are the key properties of [2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] benzoate?
[2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] benzoate has a molecular weight of 308.33 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] benzoate is sourced from PubChem (CID 7515099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).