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

C15H20N2O4 — CID 113063225

IUPACethyl 4-[2-acetamidoethyl(acetyl)amino]benzoate
SMILESCCOC(=O)c1ccc(N(CCNC(C)=O)C(C)=O)cc1
InChIInChI=1S/C15H20N2O4/c1-4-21-15(20)13-5-7-14(8-6-13)17(12(3)19)10-9-16-11(2)18/h5-8H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyXHQJCALDCLATPY-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.35
Rot. Bonds6

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

ethyl 4-[2-acetamidoethyl(acetyl)amino]benzoate (PubChem CID 113063225) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 4-[2-acetamidoethyl(acetyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-acetamidoethyl(acetyl)amino]benzoate
PubChem CID113063225
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameethyl 4-[2-acetamidoethyl(acetyl)amino]benzoate
SMILESCCOC(=O)c1ccc(N(CCNC(C)=O)C(C)=O)cc1
InChIInChI=1S/C15H20N2O4/c1-4-21-15(20)13-5-7-14(8-6-13)17(12(3)19)10-9-16-11(2)18/h5-8H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyXHQJCALDCLATPY-UHFFFAOYSA-N
XLogP1.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[acetyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]benzoate
CID 113063271
N-[2-(N,4-diacetylanilino)ethyl]acetamide
CID 113061629
ethyl 4-[acetyl-[3-oxo-3-(propylamino)propyl]amino]benzoate
CID 113133297
ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate
CID 113061688
N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide
CID 91715659
N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide
CID 113059276
methyl 4-[acetyl-[2-(butanoylamino)ethyl]amino]benzoate
CID 113062014
methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate
CID 113062028
ethyl 4-[acetyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzoate
CID 113178795
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide
CID 113057862
ethyl 4-[acetyl-[3-(2,6-dimethylanilino)-3-oxopropyl]amino]benzoate
CID 113133356
ethyl 4-[acetyl-[3-(cyclohexylamino)-3-oxopropyl]amino]benzoate
CID 113133307

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-acetamidoethyl(acetyl)amino]benzoate?
The IUPAC name of ethyl 4-[2-acetamidoethyl(acetyl)amino]benzoate (CID 113063225) is ethyl 4-[2-acetamidoethyl(acetyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[2-acetamidoethyl(acetyl)amino]benzoate?
The canonical SMILES for ethyl 4-[2-acetamidoethyl(acetyl)amino]benzoate is CCOC(=O)c1ccc(N(CCNC(C)=O)C(C)=O)cc1.
What is the InChIKey of ethyl 4-[2-acetamidoethyl(acetyl)amino]benzoate?
The InChIKey is XHQJCALDCLATPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-21-15(20)13-5-7-14(8-6-13)17(12(3)19)10-9-16-11(2)18/h5-8H,4,9-10H2,1-3H3,(H,16,18).
What are the key properties of ethyl 4-[2-acetamidoethyl(acetyl)amino]benzoate?
ethyl 4-[2-acetamidoethyl(acetyl)amino]benzoate has a molecular weight of 292.34 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-acetamidoethyl(acetyl)amino]benzoate is sourced from PubChem (CID 113063225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).