(2-amino-2-oxoethyl) 3-ethoxy-4-(2-methylpropoxy)benzoate

C15H21NO5 — CID 2535405

IUPAC(2-amino-2-oxoethyl) 3-ethoxy-4-(2-methylpropoxy)benzoate
SMILESCCOc1cc(C(=O)OCC(N)=O)ccc1OCC(C)C
InChIInChI=1S/C15H21NO5/c1-4-19-13-7-11(15(18)21-9-14(16)17)5-6-12(13)20-8-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H2,16,17)
InChIKeyHAKQUQNZEFBXPB-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.76
Rot. Bonds8

About (2-amino-2-oxoethyl) 3-ethoxy-4-(2-methylpropoxy)benzoate

(2-amino-2-oxoethyl) 3-ethoxy-4-(2-methylpropoxy)benzoate (PubChem CID 2535405) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 3-ethoxy-4-(2-methylpropoxy)benzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 3-ethoxy-4-(2-methylpropoxy)benzoate
PubChem CID2535405
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name(2-amino-2-oxoethyl) 3-ethoxy-4-(2-methylpropoxy)benzoate
SMILESCCOc1cc(C(=O)OCC(N)=O)ccc1OCC(C)C
InChIInChI=1S/C15H21NO5/c1-4-19-13-7-11(15(18)21-9-14(16)17)5-6-12(13)20-8-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H2,16,17)
InChIKeyHAKQUQNZEFBXPB-UHFFFAOYSA-N
XLogP1.76
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(carbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 2535390
2-methylpropyl 3,4-diethoxybenzoate
CID 82186382
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 7489220
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 2535397
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 42970974
ethyl 3,4-diethoxybenzoate
CID 586407
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 8952991
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 29201029
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 2535407
(2-amino-2-oxoethyl) 3,4,5-triethoxybenzoate
CID 2363630
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7811094
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 7500692

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 3-ethoxy-4-(2-methylpropoxy)benzoate?
The IUPAC name of (2-amino-2-oxoethyl) 3-ethoxy-4-(2-methylpropoxy)benzoate (CID 2535405) is (2-amino-2-oxoethyl) 3-ethoxy-4-(2-methylpropoxy)benzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 3-ethoxy-4-(2-methylpropoxy)benzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 3-ethoxy-4-(2-methylpropoxy)benzoate is CCOc1cc(C(=O)OCC(N)=O)ccc1OCC(C)C.
What is the InChIKey of (2-amino-2-oxoethyl) 3-ethoxy-4-(2-methylpropoxy)benzoate?
The InChIKey is HAKQUQNZEFBXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-4-19-13-7-11(15(18)21-9-14(16)17)5-6-12(13)20-8-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H2,16,17).
What are the key properties of (2-amino-2-oxoethyl) 3-ethoxy-4-(2-methylpropoxy)benzoate?
(2-amino-2-oxoethyl) 3-ethoxy-4-(2-methylpropoxy)benzoate has a molecular weight of 295.34 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 3-ethoxy-4-(2-methylpropoxy)benzoate is sourced from PubChem (CID 2535405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).