[2-oxo-2-(propan-2-ylamino)ethyl] 4-(2-methylpropoxy)benzoate

C16H23NO4 — CID 2680608

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 4-(2-methylpropoxy)benzoate
SMILESCC(C)COc1ccc(C(=O)OCC(=O)NC(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-11(2)9-20-14-7-5-13(6-8-14)16(19)21-10-15(18)17-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,17,18)
InChIKeyWKZZBOMKRSCPKG-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.40
Rot. Bonds7

About [2-oxo-2-(propan-2-ylamino)ethyl] 4-(2-methylpropoxy)benzoate

[2-oxo-2-(propan-2-ylamino)ethyl] 4-(2-methylpropoxy)benzoate (PubChem CID 2680608) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 4-(2-methylpropoxy)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 4-(2-methylpropoxy)benzoate
PubChem CID2680608
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 4-(2-methylpropoxy)benzoate
SMILESCC(C)COc1ccc(C(=O)OCC(=O)NC(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-11(2)9-20-14-7-5-13(6-8-14)16(19)21-10-15(18)17-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,17,18)
InChIKeyWKZZBOMKRSCPKG-UHFFFAOYSA-N
XLogP2.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 2680572
[2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)benzoate
CID 2680578
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7194340
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-(2-methylpropoxy)benzoate
CID 2635010
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7194275
[2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate
CID 7654146
[2-(3-acetylanilino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 2680545
[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7194364
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 2645754
[4-(2-methylpropoxycarbonyl)phenyl] 4-(2-methylpropoxy)benzoate
CID 17149614
[2-(4-acetamidophenyl)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7194212
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7210667

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 4-(2-methylpropoxy)benzoate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 4-(2-methylpropoxy)benzoate (CID 2680608) is [2-oxo-2-(propan-2-ylamino)ethyl] 4-(2-methylpropoxy)benzoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 4-(2-methylpropoxy)benzoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 4-(2-methylpropoxy)benzoate is CC(C)COc1ccc(C(=O)OCC(=O)NC(C)C)cc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 4-(2-methylpropoxy)benzoate?
The InChIKey is WKZZBOMKRSCPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(2)9-20-14-7-5-13(6-8-14)16(19)21-10-15(18)17-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,17,18).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 4-(2-methylpropoxy)benzoate?
[2-oxo-2-(propan-2-ylamino)ethyl] 4-(2-methylpropoxy)benzoate has a molecular weight of 293.36 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 4-(2-methylpropoxy)benzoate is sourced from PubChem (CID 2680608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).