[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate

C16H22N2O5 — CID 8842622

IUPAC[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)NCC(=O)NCC)cc1
InChIInChI=1S/C16H22N2O5/c1-3-9-22-13-7-5-12(6-8-13)16(21)23-11-15(20)18-10-14(19)17-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyMRVLUHYBMQEVES-UHFFFAOYSA-N
MW322.36 g/mol
LogP0.88
Rot. Bonds9

About [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate

[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate (PubChem CID 8842622) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate.

Molecular Properties

Compound Name[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate
PubChem CID8842622
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)NCC(=O)NCC)cc1
InChIInChI=1S/C16H22N2O5/c1-3-9-22-13-7-5-12(6-8-13)16(21)23-11-15(20)18-10-14(19)17-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyMRVLUHYBMQEVES-UHFFFAOYSA-N
XLogP0.88
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetamide
CID 86907761
butyl 4-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzoate
CID 8511733
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228962
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-N-ethylacetamide
CID 43567092
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 4-propoxybenzoate
CID 7211967
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate
CID 7211957
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 4-methylbenzoate
CID 9018198
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289524
[2-(ethylamino)-2-oxoethyl] 4-cyanobenzoate
CID 2592389
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 9338816
[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate
CID 8842588

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate?
The IUPAC name of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate (CID 8842622) is [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate.
What is the SMILES notation for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate?
The canonical SMILES for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)NCC(=O)NCC)cc1.
What is the InChIKey of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate?
The InChIKey is MRVLUHYBMQEVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-3-9-22-13-7-5-12(6-8-13)16(21)23-11-15(20)18-10-14(19)17-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate?
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate has a molecular weight of 322.36 g/mol, XLogP of 0.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate is sourced from PubChem (CID 8842622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).