ethyl 3-[[(2-ethoxy-2-oxoethyl)carbamoylamino]methyl]benzoate

C15H20N2O5 — CID 67258110

IUPACethyl 3-[[(2-ethoxy-2-oxoethyl)carbamoylamino]methyl]benzoate
SMILESCCOC(=O)CNC(=O)NCc1cccc(C(=O)OCC)c1
InChIInChI=1S/C15H20N2O5/c1-3-21-13(18)10-17-15(20)16-9-11-6-5-7-12(8-11)14(19)22-4-2/h5-8H,3-4,9-10H2,1-2H3,(H2,16,17,20)
InChIKeyBSELAWGUAOXFOD-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.23
Rot. Bonds7

About ethyl 3-[[(2-ethoxy-2-oxoethyl)carbamoylamino]methyl]benzoate

ethyl 3-[[(2-ethoxy-2-oxoethyl)carbamoylamino]methyl]benzoate (PubChem CID 67258110) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is ethyl 3-[[(2-ethoxy-2-oxoethyl)carbamoylamino]methyl]benzoate.

Molecular Properties

Compound Nameethyl 3-[[(2-ethoxy-2-oxoethyl)carbamoylamino]methyl]benzoate
PubChem CID67258110
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Nameethyl 3-[[(2-ethoxy-2-oxoethyl)carbamoylamino]methyl]benzoate
SMILESCCOC(=O)CNC(=O)NCc1cccc(C(=O)OCC)c1
InChIInChI=1S/C15H20N2O5/c1-3-21-13(18)10-17-15(20)16-9-11-6-5-7-12(8-11)14(19)22-4-2/h5-8H,3-4,9-10H2,1-2H3,(H2,16,17,20)
InChIKeyBSELAWGUAOXFOD-UHFFFAOYSA-N
XLogP1.23
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[3-(3-methyl-2-pyridinyl)phenyl]methylcarbamoylamino]acetate
CID 163927387
ethyl 3-(aminomethyl)benzoate
CID 15079215
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CID 61199140
3-[(ethylcarbamoylamino)methyl]benzoic acid
CID 60895497
ethyl 3-[(dimethylamino)methyl]benzoate
CID 118181907
diethyl benzene-1,3-dicarboxylate
CID 12491
methyl 3-(acetamidomethyl)benzoate
CID 20717921
ethyl 2-(1-benzofuran-5-ylmethylcarbamoylamino)acetate
CID 67258307
ethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol
CID 142337828
ethyl 3-(2,2-dimethylpropylamino)benzoate
CID 61325546
3-[(propylcarbamoylamino)methyl]benzoic acid
CID 60895496
ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate
CID 53099745

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(2-ethoxy-2-oxoethyl)carbamoylamino]methyl]benzoate?
The IUPAC name of ethyl 3-[[(2-ethoxy-2-oxoethyl)carbamoylamino]methyl]benzoate (CID 67258110) is ethyl 3-[[(2-ethoxy-2-oxoethyl)carbamoylamino]methyl]benzoate.
What is the SMILES notation for ethyl 3-[[(2-ethoxy-2-oxoethyl)carbamoylamino]methyl]benzoate?
The canonical SMILES for ethyl 3-[[(2-ethoxy-2-oxoethyl)carbamoylamino]methyl]benzoate is CCOC(=O)CNC(=O)NCc1cccc(C(=O)OCC)c1.
What is the InChIKey of ethyl 3-[[(2-ethoxy-2-oxoethyl)carbamoylamino]methyl]benzoate?
The InChIKey is BSELAWGUAOXFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-3-21-13(18)10-17-15(20)16-9-11-6-5-7-12(8-11)14(19)22-4-2/h5-8H,3-4,9-10H2,1-2H3,(H2,16,17,20).
What are the key properties of ethyl 3-[[(2-ethoxy-2-oxoethyl)carbamoylamino]methyl]benzoate?
ethyl 3-[[(2-ethoxy-2-oxoethyl)carbamoylamino]methyl]benzoate has a molecular weight of 308.33 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(2-ethoxy-2-oxoethyl)carbamoylamino]methyl]benzoate is sourced from PubChem (CID 67258110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).