ethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate

C22H26N2O5 — CID 39982679

IUPACethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C22H26N2O5/c1-5-28-20(26)17-8-6-7-9-18(17)24-19(25)14-15-10-12-16(13-11-15)23-21(27)29-22(2,3)4/h6-13H,5,14H2,1-4H3,(H,23,27)(H,24,25)
InChIKeyAZMUYAVEZSPPCM-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.39
Rot. Bonds6

About ethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate

ethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate (PubChem CID 39982679) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is ethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate
PubChem CID39982679
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Nameethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C22H26N2O5/c1-5-28-20(26)17-8-6-7-9-18(17)24-19(25)14-15-10-12-16(13-11-15)23-21(27)29-22(2,3)4/h6-13H,5,14H2,1-4H3,(H,23,27)(H,24,25)
InChIKeyAZMUYAVEZSPPCM-UHFFFAOYSA-N
XLogP4.39
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate with MolForge

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Related Compounds

tert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate
CID 46556125
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
ethyl 2-[[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7746803
ethyl 2-(propanoylamino)benzoate
CID 4190428
tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate
CID 33104899
[2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 17423024
ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate
CID 28712736
ethyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]benzoate
CID 110428354
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
ethyl 2-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzoate
CID 28634215
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
ethyl 2-[[2-[2-(4-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 2556380

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate (CID 39982679) is ethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of ethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate?
The InChIKey is AZMUYAVEZSPPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-5-28-20(26)17-8-6-7-9-18(17)24-19(25)14-15-10-12-16(13-11-15)23-21(27)29-22(2,3)4/h6-13H,5,14H2,1-4H3,(H,23,27)(H,24,25).
What are the key properties of ethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate?
ethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate has a molecular weight of 398.46 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate is sourced from PubChem (CID 39982679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).