[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate

C17H24N2O6 — CID 18272291

IUPAC[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate
SMILESCC(C)OCCCNC(=O)COC(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C17H24N2O6/c1-12(2)23-9-3-8-19-16(21)11-25-17(22)13-4-6-14(7-5-13)24-10-15(18)20/h4-7,12H,3,8-11H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyFNLUTKWLYCTNBW-UHFFFAOYSA-N
MW352.39 g/mol
LogP0.64
Rot. Bonds11

About [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate

[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate (PubChem CID 18272291) has the molecular formula C17H24N2O6 and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate
PubChem CID18272291
Molecular FormulaC17H24N2O6
Molecular Weight352.39 g/mol
Exact Mass352.16
IUPAC Name[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate
SMILESCC(C)OCCCNC(=O)COC(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C17H24N2O6/c1-12(2)23-9-3-8-19-16(21)11-25-17(22)13-4-6-14(7-5-13)24-10-15(18)20/h4-7,12H,3,8-11H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyFNLUTKWLYCTNBW-UHFFFAOYSA-N
XLogP0.64
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-cyanobenzoate
CID 9201990
[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-acetamidobenzoate
CID 9016157
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
CID 104764609
4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide
CID 35513931
[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 18202688
[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2603418
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678944
3-[2-oxo-2-(3-propan-2-yloxypropylamino)ethoxy]benzoic acid
CID 43214917
2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
CID 104758382
2-propan-2-yloxyethyl 4-ethoxybenzoate
CID 78790018
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678473
[2-(3-methoxypropylamino)-2-oxoethyl] 4-aminobenzoate
CID 60625420

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate?
The IUPAC name of [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate (CID 18272291) is [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate.
What is the SMILES notation for [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate?
The canonical SMILES for [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate is CC(C)OCCCNC(=O)COC(=O)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate?
The InChIKey is FNLUTKWLYCTNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6/c1-12(2)23-9-3-8-19-16(21)11-25-17(22)13-4-6-14(7-5-13)24-10-15(18)20/h4-7,12H,3,8-11H2,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate?
[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate has a molecular weight of 352.39 g/mol, XLogP of 0.64, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate is sourced from PubChem (CID 18272291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).