[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate

C15H21N3O5 — CID 7602411

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate
SMILESCC(C)NC(=O)NC(=O)COC(=O)c1ccccc1NCCO
InChIInChI=1S/C15H21N3O5/c1-10(2)17-15(22)18-13(20)9-23-14(21)11-5-3-4-6-12(11)16-7-8-19/h3-6,10,16,19H,7-9H2,1-2H3,(H2,17,18,20,22)
InChIKeyHFBNSNOJELSVSW-UHFFFAOYSA-N
MW323.35 g/mol
LogP0.48
Rot. Bonds7

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate (PubChem CID 7602411) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate
PubChem CID7602411
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate
SMILESCC(C)NC(=O)NC(=O)COC(=O)c1ccccc1NCCO
InChIInChI=1S/C15H21N3O5/c1-10(2)17-15(22)18-13(20)9-23-14(21)11-5-3-4-6-12(11)16-7-8-19/h3-6,10,16,19H,7-9H2,1-2H3,(H2,17,18,20,22)
InChIKeyHFBNSNOJELSVSW-UHFFFAOYSA-N
XLogP0.48
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602816
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613697
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7603347
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969611
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602255
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602415
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8785919
[2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7603228
[2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602381
[2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 2386420
(3,3-dimethyl-2-oxobutyl) 2-(propan-2-ylcarbamoylamino)benzoate
CID 17470932
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate
CID 2646135

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate (CID 7602411) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate is CC(C)NC(=O)NC(=O)COC(=O)c1ccccc1NCCO.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate?
The InChIKey is HFBNSNOJELSVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-10(2)17-15(22)18-13(20)9-23-14(21)11-5-3-4-6-12(11)16-7-8-19/h3-6,10,16,19H,7-9H2,1-2H3,(H2,17,18,20,22).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate has a molecular weight of 323.35 g/mol, XLogP of 0.48, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 7602411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).