[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate

C18H19NO5 — CID 7814464

IUPAC[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate
SMILESCC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)c2ccco2)cc1
InChIInChI=1S/C18H19NO5/c1-18(2,3)13-8-6-12(7-9-13)16(21)19-15(20)11-24-17(22)14-5-4-10-23-14/h4-10H,11H2,1-3H3,(H,19,20,21)
InChIKeyHAIHJEJOEUTHEU-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.69
Rot. Bonds4

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

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate (PubChem CID 7814464) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate
PubChem CID7814464
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate
SMILESCC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)c2ccco2)cc1
InChIInChI=1S/C18H19NO5/c1-18(2,3)13-8-6-12(7-9-13)16(21)19-15(20)11-24-17(22)14-5-4-10-23-14/h4-10H,11H2,1-3H3,(H,19,20,21)
InChIKeyHAIHJEJOEUTHEU-UHFFFAOYSA-N
XLogP2.69
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-benzamido-2-oxoethyl) furan-2-carboxylate
CID 7486704
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate
CID 7696392
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-bromobenzoate
CID 7889691
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631789
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate
CID 7851351
(2-benzamido-2-oxoethyl) 2-(furan-2-carbonylamino)acetate
CID 7879888
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxybenzoate
CID 7891349
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950882
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 7722764
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891483
(4-tert-butylphenyl)-(furan-2-yl)methanone
CID 12536587
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386882

Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate (CID 7814464) is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate is CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)c2ccco2)cc1.
What is the InChIKey of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate?
The InChIKey is HAIHJEJOEUTHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-18(2,3)13-8-6-12(7-9-13)16(21)19-15(20)11-24-17(22)14-5-4-10-23-14/h4-10H,11H2,1-3H3,(H,19,20,21).
What are the key properties of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate?
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate has a molecular weight of 329.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 7814464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).