ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate

C14H18N2O5 — CID 113000796

IUPACethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
SMILESCCOC(=O)NCC(=O)Nc1ccc(C(=O)OCC)cc1
InChIInChI=1S/C14H18N2O5/c1-3-20-13(18)10-5-7-11(8-6-10)16-12(17)9-15-14(19)21-4-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyJLNVYRPAUOUEMX-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.55
Rot. Bonds6

About ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate

ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate (PubChem CID 113000796) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
PubChem CID113000796
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Nameethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
SMILESCCOC(=O)NCC(=O)Nc1ccc(C(=O)OCC)cc1
InChIInChI=1S/C14H18N2O5/c1-3-20-13(18)10-5-7-11(8-6-10)16-12(17)9-15-14(19)21-4-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyJLNVYRPAUOUEMX-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068
ethyl 4-[[2-(3-phenylpropanoylamino)acetyl]amino]benzoate
CID 113000783
ethyl 4-(3,3-dimethylbutanoylamino)benzoate
CID 4629358
ethyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate
CID 47187195
ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 60647219
ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate
CID 113000793
ethyl 4-(4-methylpentanoylamino)benzoate
CID 43404103
ethyl 4-(3-methoxypropanoylamino)benzoate
CID 62590057
methyl 3-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
CID 112999894
ethyl 4-[[2-(pentylamino)acetyl]amino]benzoate
CID 109006003
ethyl 4-(5-hydroxypentanoylamino)benzoate
CID 79199550
4-(4-ethoxycarbonylanilino)-2-methylidene-4-oxobutanoic acid
CID 18381040

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate (CID 113000796) is ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate is CCOC(=O)NCC(=O)Nc1ccc(C(=O)OCC)cc1.
What is the InChIKey of ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate?
The InChIKey is JLNVYRPAUOUEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-3-20-13(18)10-5-7-11(8-6-10)16-12(17)9-15-14(19)21-4-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate?
ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate has a molecular weight of 294.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate is sourced from PubChem (CID 113000796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).