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

C21H23NO5 — CID 7891349

IUPAC[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H23NO5/c1-21(2,3)15-11-9-14(10-12-15)19(24)22-18(23)13-27-20(25)16-7-5-6-8-17(16)26-4/h5-12H,13H2,1-4H3,(H,22,23,24)
InChIKeyWOWUAWNXQUOYTG-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.11
Rot. Bonds5

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

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxybenzoate (PubChem CID 7891349) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxybenzoate
PubChem CID7891349
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H23NO5/c1-21(2,3)15-11-9-14(10-12-15)19(24)22-18(23)13-27-20(25)16-7-5-6-8-17(16)26-4/h5-12H,13H2,1-4H3,(H,22,23,24)
InChIKeyWOWUAWNXQUOYTG-UHFFFAOYSA-N
XLogP3.11
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 7722764
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate
CID 7696392
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 2624849
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891483
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 2640368
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399528
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-bromobenzoate
CID 7889691
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate
CID 7485742
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561837
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate
CID 7814464
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate
CID 7851351
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2647794

Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxybenzoate?
The IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxybenzoate (CID 7891349) is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxybenzoate?
The canonical SMILES for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxybenzoate is COc1ccccc1C(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxybenzoate?
The InChIKey is WOWUAWNXQUOYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-21(2,3)15-11-9-14(10-12-15)19(24)22-18(23)13-27-20(25)16-7-5-6-8-17(16)26-4/h5-12H,13H2,1-4H3,(H,22,23,24).
What are the key properties of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxybenzoate?
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxybenzoate has a molecular weight of 369.42 g/mol, XLogP of 3.11, 5 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] 2-methoxybenzoate is sourced from PubChem (CID 7891349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).