[2-(tert-butylamino)-2-oxoethyl] 2-phenylbutanoate

C16H23NO3 — CID 71820783

IUPAC[2-(tert-butylamino)-2-oxoethyl] 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-5-13(12-9-7-6-8-10-12)15(19)20-11-14(18)17-16(2,3)4/h6-10,13H,5,11H2,1-4H3,(H,17,18)
InChIKeyCSPJKVPTSIYPKK-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.64
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl] 2-phenylbutanoate

[2-(tert-butylamino)-2-oxoethyl] 2-phenylbutanoate (PubChem CID 71820783) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 2-phenylbutanoate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 2-phenylbutanoate
PubChem CID71820783
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-5-13(12-9-7-6-8-10-12)15(19)20-11-14(18)17-16(2,3)4/h6-10,13H,5,11H2,1-4H3,(H,17,18)
InChIKeyCSPJKVPTSIYPKK-UHFFFAOYSA-N
XLogP2.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Butetamate
CID 27368
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate
CID 3453266
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 2-phenylacetate
CID 4387580
(2-Amino-2-oxoethyl) 3,3-diphenylpropanoate
CID 2419502
[2-(Tert-butylcarbamoylamino)-2-oxoethyl] 2-phenylbutanoate
CID 4331018
2-(Diethylamino)ethyl 3-methyl-2-phenylpentanoate
CID 207303
[2-(Tert-butylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2416174
[2-(1-Adamantylamino)-2-oxoethyl] 2-phenylacetate
CID 3502663
Acetic acid, diphenyl-, 2-(diethylamino)propyl ester, hydrochloride
CID 17939
Benzeneacetic acid, alpha-ethyl-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CID 27367
Hexanoic acid, 5-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
CID 52871
Benzeneacetic acid, alpha-heptyl-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CID 52921

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-phenylbutanoate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-phenylbutanoate (CID 71820783) is [2-(tert-butylamino)-2-oxoethyl] 2-phenylbutanoate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 2-phenylbutanoate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 2-phenylbutanoate is CCC(C(=O)OCC(=O)NC(C)(C)C)c1ccccc1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 2-phenylbutanoate?
The InChIKey is CSPJKVPTSIYPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-5-13(12-9-7-6-8-10-12)15(19)20-11-14(18)17-16(2,3)4/h6-10,13H,5,11H2,1-4H3,(H,17,18).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 2-phenylbutanoate?
[2-(tert-butylamino)-2-oxoethyl] 2-phenylbutanoate has a molecular weight of 277.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 2-phenylbutanoate is sourced from PubChem (CID 71820783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).