[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-phenylacetate

C15H21NO3 — CID 55319414

IUPAC[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-phenylacetate
SMILESCC(C)C(C)NC(=O)COC(=O)Cc1ccccc1
InChIInChI=1S/C15H21NO3/c1-11(2)12(3)16-14(17)10-19-15(18)9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,17)
InChIKeyMHSDXPHYENQUFM-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.93
Rot. Bonds6

About [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-phenylacetate

[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-phenylacetate (PubChem CID 55319414) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-phenylacetate
PubChem CID55319414
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-phenylacetate
SMILESCC(C)C(C)NC(=O)COC(=O)Cc1ccccc1
InChIInChI=1S/C15H21NO3/c1-11(2)12(3)16-14(17)10-19-15(18)9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,17)
InChIKeyMHSDXPHYENQUFM-UHFFFAOYSA-N
XLogP1.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 7782738
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 7428538
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-chlorophenyl)acetate
CID 2390853
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971558
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2675463
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 4-benzoylbenzoate
CID 42976669
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 7763020
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7847240
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659140
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 7569043
[2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4852188
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8510915

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-phenylacetate?
The IUPAC name of [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-phenylacetate (CID 55319414) is [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-phenylacetate is CC(C)C(C)NC(=O)COC(=O)Cc1ccccc1.
What is the InChIKey of [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-phenylacetate?
The InChIKey is MHSDXPHYENQUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(2)12(3)16-14(17)10-19-15(18)9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,17).
What are the key properties of [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-phenylacetate?
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-phenylacetate has a molecular weight of 263.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-phenylacetate is sourced from PubChem (CID 55319414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).