ethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate

C17H24N2O4 — CID 91714717

IUPACethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)CCNC(=O)c1ccc(CC)cc1
InChIInChI=1S/C17H24N2O4/c1-3-13-5-7-14(8-6-13)17(22)19-11-9-15(20)18-12-10-16(21)23-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyCXTINXVOHRHMHD-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.44
Rot. Bonds9

About ethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate

ethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate (PubChem CID 91714717) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate
PubChem CID91714717
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nameethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)CCNC(=O)c1ccc(CC)cc1
InChIInChI=1S/C17H24N2O4/c1-3-13-5-7-14(8-6-13)17(22)19-11-9-15(20)18-12-10-16(21)23-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyCXTINXVOHRHMHD-UHFFFAOYSA-N
XLogP1.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

undecyl 3-[(4-ethylbenzoyl)amino]propanoate
CID 91714756
ethyl 4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutanoate
CID 9088083
pentyl 3-[3-[(4-methylbenzoyl)amino]propanoylamino]propanoate
CID 91710666
[2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827110
N-(3-amino-3-sulfanylidenepropyl)-4-ethylbenzamide
CID 62668181
ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 50851083
ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
CID 91637595
ethyl 4-oxo-4-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethylamino]butanoate
CID 108573499
ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate
CID 37260222
ethane;4-ethyl-N-propylbenzamide
CID 142831348
ethyl 3-[(4-bromo-3-hydroxybenzoyl)amino]propanoate
CID 103830570
ethyl 3-[(3,5-dichlorobenzoyl)amino]propanoate
CID 47437680

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate?
The IUPAC name of ethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate (CID 91714717) is ethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate.
What is the SMILES notation for ethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate?
The canonical SMILES for ethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate is CCOC(=O)CCNC(=O)CCNC(=O)c1ccc(CC)cc1.
What is the InChIKey of ethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate?
The InChIKey is CXTINXVOHRHMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-13-5-7-14(8-6-13)17(22)19-11-9-15(20)18-12-10-16(21)23-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,18,20)(H,19,22).
What are the key properties of ethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate?
ethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate has a molecular weight of 320.39 g/mol, XLogP of 1.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate is sourced from PubChem (CID 91714717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).