[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-methylbut-2-enoate

C18H23NO4 — CID 8760032

IUPAC[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-methylbut-2-enoate
SMILESCC(C)=CC(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H23NO4/c1-12(2)10-16(21)23-11-15(20)19-17(22)13-6-8-14(9-7-13)18(3,4)5/h6-10H,11H2,1-5H3,(H,19,20,22)
InChIKeyFTMAQUZICXEGKA-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.75
Rot. Bonds4

About [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-methylbut-2-enoate

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-methylbut-2-enoate (PubChem CID 8760032) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-methylbut-2-enoate.

Molecular Properties

Compound Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-methylbut-2-enoate
PubChem CID8760032
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-methylbut-2-enoate
SMILESCC(C)=CC(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H23NO4/c1-12(2)10-16(21)23-11-15(20)19-17(22)13-6-8-14(9-7-13)18(3,4)5/h6-10H,11H2,1-5H3,(H,19,20,22)
InChIKeyFTMAQUZICXEGKA-UHFFFAOYSA-N
XLogP2.75
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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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] propanoate
CID 7851351
ethyl (E)-3-[(4-tert-butylbenzoyl)amino]but-2-enoate
CID 6119427
[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] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 8663551
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 6219749
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 4785068
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 7787992
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate
CID 7814464
[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-methylbut-2-enoate?
The IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-methylbut-2-enoate (CID 8760032) is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-methylbut-2-enoate.
What is the SMILES notation for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-methylbut-2-enoate?
The canonical SMILES for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-methylbut-2-enoate is CC(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-methylbut-2-enoate?
The InChIKey is FTMAQUZICXEGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-12(2)10-16(21)23-11-15(20)19-17(22)13-6-8-14(9-7-13)18(3,4)5/h6-10H,11H2,1-5H3,(H,19,20,22).
What are the key properties of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-methylbut-2-enoate?
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-methylbut-2-enoate has a molecular weight of 317.39 g/mol, XLogP of 2.75, 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-methylbut-2-enoate is sourced from PubChem (CID 8760032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).