[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate

C15H20N4O5 — CID 2527547

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H20N4O5/c1-9(2)7-17-15(23)19-12(20)8-24-13(21)10-3-5-11(6-4-10)18-14(16)22/h3-6,9H,7-8H2,1-2H3,(H3,16,18,22)(H2,17,19,20,23)
InChIKeyOPZARUODVHVWNH-UHFFFAOYSA-N
MW336.35 g/mol
LogP0.82
Rot. Bonds6

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate (PubChem CID 2527547) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate
PubChem CID2527547
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H20N4O5/c1-9(2)7-17-15(23)19-12(20)8-24-13(21)10-3-5-11(6-4-10)18-14(16)22/h3-6,9H,7-8H2,1-2H3,(H3,16,18,22)(H2,17,19,20,23)
InChIKeyOPZARUODVHVWNH-UHFFFAOYSA-N
XLogP0.82
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8646997
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate
CID 8538101
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-formylbenzoate
CID 2504422
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511945
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8985884
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 46793074
bis[2-(2-methylpropylamino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7775398
4-(carbamoylamino)-N-(2-methylpropyl)benzamide
CID 47106060
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate
CID 7790099
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-(carbamoylamino)benzoate
CID 2527364
[2-(2-methylpropylamino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2450511
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 55321132

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate (CID 2527547) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate is CC(C)CNC(=O)NC(=O)COC(=O)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate?
The InChIKey is OPZARUODVHVWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-9(2)7-17-15(23)19-12(20)8-24-13(21)10-3-5-11(6-4-10)18-14(16)22/h3-6,9H,7-8H2,1-2H3,(H3,16,18,22)(H2,17,19,20,23).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate has a molecular weight of 336.35 g/mol, XLogP of 0.82, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate is sourced from PubChem (CID 2527547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).