[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate

C16H21NO4 — CID 7851351

IUPAC[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H21NO4/c1-5-14(19)21-10-13(18)17-15(20)11-6-8-12(9-7-11)16(2,3)4/h6-9H,5,10H2,1-4H3,(H,17,18,20)
InChIKeyCKUQDULOQWESST-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.19
Rot. Bonds4

About [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate (PubChem CID 7851351) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate.

Molecular Properties

Compound Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate
PubChem CID7851351
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H21NO4/c1-5-14(19)21-10-13(18)17-15(20)11-6-8-12(9-7-11)16(2,3)4/h6-9H,5,10H2,1-4H3,(H,17,18,20)
InChIKeyCKUQDULOQWESST-UHFFFAOYSA-N
XLogP2.19
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950882
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 4785068
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate
CID 7696392
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 8760032
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-bromobenzoate
CID 7889691
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524637
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915149
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793696
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960280
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209821
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891483
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate
CID 7814464

Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate?
The IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate (CID 7851351) is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate.
What is the SMILES notation for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate?
The canonical SMILES for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate is CCC(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate?
The InChIKey is CKUQDULOQWESST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-5-14(19)21-10-13(18)17-15(20)11-6-8-12(9-7-11)16(2,3)4/h6-9H,5,10H2,1-4H3,(H,17,18,20).
What are the key properties of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate?
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate has a molecular weight of 291.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate is sourced from PubChem (CID 7851351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).