[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate

C19H27NO4 — CID 7950882

IUPAC[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate
SMILESCC(C)(C)CC(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H27NO4/c1-18(2,3)11-16(22)24-12-15(21)20-17(23)13-7-9-14(10-8-13)19(4,5)6/h7-10H,11-12H2,1-6H3,(H,20,21,23)
InChIKeyISYIMVCMXDITTD-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.22
Rot. Bonds4

About [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate (PubChem CID 7950882) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate.

Molecular Properties

Compound Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate
PubChem CID7950882
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate
SMILESCC(C)(C)CC(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H27NO4/c1-18(2,3)11-16(22)24-12-15(21)20-17(23)13-7-9-14(10-8-13)19(4,5)6/h7-10H,11-12H2,1-6H3,(H,20,21,23)
InChIKeyISYIMVCMXDITTD-UHFFFAOYSA-N
XLogP3.22
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate with MolForge

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Related Compounds

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate
CID 7851351
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 8760032
[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] 4-bromobenzoate
CID 7889691
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915149
[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] furan-2-carboxylate
CID 7814464
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524637
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386882
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxybenzoate
CID 7891349

Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate?
The IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate (CID 7950882) is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate.
What is the SMILES notation for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate?
The canonical SMILES for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate is CC(C)(C)CC(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate?
The InChIKey is ISYIMVCMXDITTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-18(2,3)11-16(22)24-12-15(21)20-17(23)13-7-9-14(10-8-13)19(4,5)6/h7-10H,11-12H2,1-6H3,(H,20,21,23).
What are the key properties of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate?
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate has a molecular weight of 333.43 g/mol, XLogP of 3.22, 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] 3,3-dimethylbutanoate is sourced from PubChem (CID 7950882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).