[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate

C19H27N3O6 — CID 7905904

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate
SMILESCCCCOc1ccc(C(=O)NCC(=O)OCC(=O)NC(=O)NCCC)cc1
InChIInChI=1S/C19H27N3O6/c1-3-5-11-27-15-8-6-14(7-9-15)18(25)21-12-17(24)28-13-16(23)22-19(26)20-10-4-2/h6-9H,3-5,10-13H2,1-2H3,(H,21,25)(H2,20,22,23,26)
InChIKeyFNBLUPRHBYFPPU-UHFFFAOYSA-N
MW393.44 g/mol
LogP1.37
Rot. Bonds11

About [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate (PubChem CID 7905904) has the molecular formula C19H27N3O6 and a molecular weight of 393.44 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate
PubChem CID7905904
Molecular FormulaC19H27N3O6
Molecular Weight393.44 g/mol
Exact Mass393.19
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate
SMILESCCCCOc1ccc(C(=O)NCC(=O)OCC(=O)NC(=O)NCCC)cc1
InChIInChI=1S/C19H27N3O6/c1-3-5-11-27-15-8-6-14(7-9-15)18(25)21-12-17(24)28-13-16(23)22-19(26)20-10-4-2/h6-9H,3-5,10-13H2,1-2H3,(H,21,25)(H2,20,22,23,26)
InChIKeyFNBLUPRHBYFPPU-UHFFFAOYSA-N
XLogP1.37
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885614
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 27928920
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27928826
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884698
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304152
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate
CID 9139525
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 42963640
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 4842502
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 55320213
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884943
[2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885788

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate (CID 7905904) is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate is CCCCOc1ccc(C(=O)NCC(=O)OCC(=O)NC(=O)NCCC)cc1.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate?
The InChIKey is FNBLUPRHBYFPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O6/c1-3-5-11-27-15-8-6-14(7-9-15)18(25)21-12-17(24)28-13-16(23)22-19(26)20-10-4-2/h6-9H,3-5,10-13H2,1-2H3,(H,21,25)(H2,20,22,23,26).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate has a molecular weight of 393.44 g/mol, XLogP of 1.37, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate is sourced from PubChem (CID 7905904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).