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

C18H26N2O4 — CID 8538101

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H26N2O4/c1-12(2)9-14-5-7-15(8-6-14)17(22)24-11-16(21)20-18(23)19-10-13(3)4/h5-8,12-13H,9-11H2,1-4H3,(H2,19,20,21,23)
InChIKeyRXJQSMPHZYMLHW-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.52
Rot. Bonds7

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

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate (PubChem CID 8538101) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate
PubChem CID8538101
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H26N2O4/c1-12(2)9-14-5-7-15(8-6-14)17(22)24-11-16(21)20-18(23)19-10-13(3)4/h5-8,12-13H,9-11H2,1-4H3,(H2,19,20,21,23)
InChIKeyRXJQSMPHZYMLHW-UHFFFAOYSA-N
XLogP2.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8985884
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-formylbenzoate
CID 2504422
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 2527547
bis[2-(2-methylpropylamino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7775398
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate
CID 7790099
[2-(benzylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate
CID 8538197
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8646997
[2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropyl)benzoate
CID 8538238
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 2615149
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate
CID 2607035
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 7734994
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-methylpropyl)benzoate
CID 8538268

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate (CID 8538101) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate is CC(C)CNC(=O)NC(=O)COC(=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate?
The InChIKey is RXJQSMPHZYMLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12(2)9-14-5-7-15(8-6-14)17(22)24-11-16(21)20-18(23)19-10-13(3)4/h5-8,12-13H,9-11H2,1-4H3,(H2,19,20,21,23).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate has a molecular weight of 334.42 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate is sourced from PubChem (CID 8538101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).