butyl 4-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzoate

C17H24N2O5 — CID 8511733

IUPACbutyl 4-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzoate
SMILESCCCCOC(=O)c1ccc(OCC(=O)NCC(=O)NCC)cc1
InChIInChI=1S/C17H24N2O5/c1-3-5-10-23-17(22)13-6-8-14(9-7-13)24-12-16(21)19-11-15(20)18-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOKAVEBRCXTUZSV-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.27
Rot. Bonds10

About butyl 4-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzoate

butyl 4-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzoate (PubChem CID 8511733) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is butyl 4-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namebutyl 4-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzoate
PubChem CID8511733
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Namebutyl 4-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzoate
SMILESCCCCOC(=O)c1ccc(OCC(=O)NCC(=O)NCC)cc1
InChIInChI=1S/C17H24N2O5/c1-3-5-10-23-17(22)13-6-8-14(9-7-13)24-12-16(21)19-11-15(20)18-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOKAVEBRCXTUZSV-UHFFFAOYSA-N
XLogP1.27
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate
CID 8842622
N-ethyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetamide
CID 86907761
2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-N-ethylacetamide
CID 43567092
butyl 4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzoate
CID 7984412
N-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide
CID 9076404
butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 7984519
butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate
CID 7984493
butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3537065
propyl 4-butoxybenzoate
CID 43389566
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
butyl 4-[2-[4-(dimethylamino)anilino]-2-oxoethoxy]benzoate
CID 7762125
butyl 4-(4-butoxycarbonylphenoxy)benzoate
CID 139890645

Frequently Asked Questions

What is the IUPAC name of butyl 4-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzoate?
The IUPAC name of butyl 4-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzoate (CID 8511733) is butyl 4-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzoate.
What is the SMILES notation for butyl 4-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzoate?
The canonical SMILES for butyl 4-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzoate is CCCCOC(=O)c1ccc(OCC(=O)NCC(=O)NCC)cc1.
What is the InChIKey of butyl 4-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzoate?
The InChIKey is OKAVEBRCXTUZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-3-5-10-23-17(22)13-6-8-14(9-7-13)24-12-16(21)19-11-15(20)18-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of butyl 4-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzoate?
butyl 4-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzoate has a molecular weight of 336.39 g/mol, XLogP of 1.27, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzoate is sourced from PubChem (CID 8511733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).