ethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate

C16H22N2O4 — CID 113158287

IUPACethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN(C(C)=O)C(C)C
InChIInChI=1S/C16H22N2O4/c1-5-22-16(21)13-8-6-7-9-14(13)17-15(20)10-18(11(2)3)12(4)19/h6-9,11H,5,10H2,1-4H3,(H,17,20)
InChIKeyUUBWRLOURVMABI-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.06
Rot. Bonds6

About ethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate

ethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate (PubChem CID 113158287) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate
PubChem CID113158287
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nameethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN(C(C)=O)C(C)C
InChIInChI=1S/C16H22N2O4/c1-5-22-16(21)13-8-6-7-9-14(13)17-15(20)10-18(11(2)3)12(4)19/h6-9,11H,5,10H2,1-4H3,(H,17,20)
InChIKeyUUBWRLOURVMABI-UHFFFAOYSA-N
XLogP2.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate (CID 113158287) is ethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CN(C(C)=O)C(C)C.
What is the InChIKey of ethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate?
The InChIKey is UUBWRLOURVMABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-5-22-16(21)13-8-6-7-9-14(13)17-15(20)10-18(11(2)3)12(4)19/h6-9,11H,5,10H2,1-4H3,(H,17,20).
What are the key properties of ethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate?
ethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate has a molecular weight of 306.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 113158287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).