[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

C24H23NO5 — CID 7891483

IUPAC[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESCC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C24H23NO5/c1-24(2,3)18-10-8-15(9-11-18)22(28)25-21(27)14-30-23(29)19-12-16-6-4-5-7-17(16)13-20(19)26/h4-13,26H,14H2,1-3H3,(H,25,27,28)
InChIKeyWZESFWRFDXAFDR-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.96
Rot. Bonds4

About [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (PubChem CID 7891483) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
PubChem CID7891483
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESCC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C24H23NO5/c1-24(2,3)18-10-8-15(9-11-18)22(28)25-21(27)14-30-23(29)19-12-16-6-4-5-7-17(16)13-20(19)26/h4-13,26H,14H2,1-3H3,(H,25,27,28)
InChIKeyWZESFWRFDXAFDR-UHFFFAOYSA-N
XLogP3.96
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxybenzoate
CID 7891349
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 7722764
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate
CID 7696392
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate
CID 7851351
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-bromobenzoate
CID 7889691
[2-(2-methylpropylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7812083
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate
CID 7814464
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399528
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386882
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891494
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950882
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-nitrobenzoate
CID 7769376

Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (CID 7891483) is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)c2cc3ccccc3cc2O)cc1.
What is the InChIKey of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is WZESFWRFDXAFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-24(2,3)18-10-8-15(9-11-18)22(28)25-21(27)14-30-23(29)19-12-16-6-4-5-7-17(16)13-20(19)26/h4-13,26H,14H2,1-3H3,(H,25,27,28).
What are the key properties of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 405.45 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 7891483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).