[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate

C18H27NO4 — CID 46806226

IUPAC[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate
SMILESCC(C)COc1cccc(C(=O)OCC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C18H27NO4/c1-12(2)10-22-16-8-6-7-15(9-16)18(21)23-11-17(20)19-14(5)13(3)4/h6-9,12-14H,10-11H2,1-5H3,(H,19,20)
InChIKeyUIYGVUBKYZHSSJ-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.04
Rot. Bonds8

About [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate

[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate (PubChem CID 46806226) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate.

Molecular Properties

Compound Name[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate
PubChem CID46806226
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate
SMILESCC(C)COc1cccc(C(=O)OCC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C18H27NO4/c1-12(2)10-22-16-8-6-7-15(9-16)18(21)23-11-17(20)19-14(5)13(3)4/h6-9,12-14H,10-11H2,1-5H3,(H,19,20)
InChIKeyUIYGVUBKYZHSSJ-UHFFFAOYSA-N
XLogP3.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate with MolForge

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Related Compounds

3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43214257
2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 51141697
[2-oxo-2-(propan-2-ylamino)ethyl] 4-(2-methylpropoxy)benzoate
CID 2680608
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 4-benzoylbenzoate
CID 42976669
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-methylpropoxy)benzoate
CID 8625609
N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide
CID 112551104
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 2645754
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(2-methylpropoxy)benzoate
CID 33340577
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate
CID 7247748
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8521030
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 7563108
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 2645737

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate?
The IUPAC name of [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate (CID 46806226) is [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate.
What is the SMILES notation for [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate?
The canonical SMILES for [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate is CC(C)COc1cccc(C(=O)OCC(=O)NC(C)C(C)C)c1.
What is the InChIKey of [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate?
The InChIKey is UIYGVUBKYZHSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-12(2)10-22-16-8-6-7-15(9-16)18(21)23-11-17(20)19-14(5)13(3)4/h6-9,12-14H,10-11H2,1-5H3,(H,19,20).
What are the key properties of [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate?
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate has a molecular weight of 321.42 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate is sourced from PubChem (CID 46806226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).