methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate

C13H16N2O5 — CID 127584836

IUPACmethyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate
SMILESCCOC(=O)CNC(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C13H16N2O5/c1-3-20-11(16)8-14-13(18)15-10-6-4-9(5-7-10)12(17)19-2/h4-7H,3,8H2,1-2H3,(H2,14,15,18)
InChIKeyLMAKKVCHMDPNCB-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.16
Rot. Bonds5

About methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate

methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate (PubChem CID 127584836) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate
PubChem CID127584836
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Namemethyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate
SMILESCCOC(=O)CNC(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C13H16N2O5/c1-3-20-11(16)8-14-13(18)15-10-6-4-9(5-7-10)12(17)19-2/h4-7H,3,8H2,1-2H3,(H2,14,15,18)
InChIKeyLMAKKVCHMDPNCB-UHFFFAOYSA-N
XLogP1.16
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2,2,2-trifluoroethylcarbamoylamino)benzoate
CID 115584006
ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
CID 108865742
ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate
CID 61340701
ethyl 4-(methoxymethylcarbamoylamino)benzoate
CID 71410631
ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate
CID 43445676
ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate
CID 17174426
ethyl 4-(2-methoxyethylcarbamoylamino)benzoate
CID 47146237
methyl 4-[(2-ethoxy-2-oxoacetyl)amino]benzoate
CID 2880570
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
methyl 4-(cyanomethylcarbamoylamino)benzoate
CID 108864803
methyl 2-[(4-acetylphenyl)carbamoylamino]acetate
CID 39733012
ethyl 2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetate
CID 43385059

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate?
The IUPAC name of methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate (CID 127584836) is methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate is CCOC(=O)CNC(=O)Nc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate?
The InChIKey is LMAKKVCHMDPNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-3-20-11(16)8-14-13(18)15-10-6-4-9(5-7-10)12(17)19-2/h4-7H,3,8H2,1-2H3,(H2,14,15,18).
What are the key properties of methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate?
methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate has a molecular weight of 280.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate is sourced from PubChem (CID 127584836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).