N-[3-(4-tert-butylphenyl)-1-(4-ethoxyphenyl)-2-oxopropyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide

C26H30N2O5 — CID 158109281

IUPACN-[3-(4-tert-butylphenyl)-1-(4-ethoxyphenyl)-2-oxopropyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
SMILESCCOc1ccc(C(C(=O)Cc2ccc(C(C)(C)C)cc2)N(C)C(=O)c2cc(=O)[nH]o2)cc1
InChIInChI=1S/C26H30N2O5/c1-6-32-20-13-9-18(10-14-20)24(28(5)25(31)22-16-23(30)27-33-22)21(29)15-17-7-11-19(12-8-17)26(2,3)4/h7-14,16,24H,6,15H2,1-5H3,(H,27,30)
InChIKeyFQFMIRKLGYPYQX-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.29
Rot. Bonds8

About N-[3-(4-tert-butylphenyl)-1-(4-ethoxyphenyl)-2-oxopropyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide

N-[3-(4-tert-butylphenyl)-1-(4-ethoxyphenyl)-2-oxopropyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide (PubChem CID 158109281) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[3-(4-tert-butylphenyl)-1-(4-ethoxyphenyl)-2-oxopropyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylphenyl)-1-(4-ethoxyphenyl)-2-oxopropyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
PubChem CID158109281
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC NameN-[3-(4-tert-butylphenyl)-1-(4-ethoxyphenyl)-2-oxopropyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
SMILESCCOc1ccc(C(C(=O)Cc2ccc(C(C)(C)C)cc2)N(C)C(=O)c2cc(=O)[nH]o2)cc1
InChIInChI=1S/C26H30N2O5/c1-6-32-20-13-9-18(10-14-20)24(28(5)25(31)22-16-23(30)27-33-22)21(29)15-17-7-11-19(12-8-17)26(2,3)4/h7-14,16,24H,6,15H2,1-5H3,(H,27,30)
InChIKeyFQFMIRKLGYPYQX-UHFFFAOYSA-N
XLogP4.29
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenyl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 60652463
N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 140781121
2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide
CID 51064503
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001623
(2R)-2-(4-tert-butylphenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 100544242
2-(4-ethoxyphenyl)-N-methylacetohydrazide
CID 116844790
N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133252135
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
2-[4-[(4-tert-butylphenyl)methoxy]phenyl]acetic acid
CID 45398570
2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid
CID 20985349
N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110757113
(2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide
CID 38001892

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylphenyl)-1-(4-ethoxyphenyl)-2-oxopropyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(4-tert-butylphenyl)-1-(4-ethoxyphenyl)-2-oxopropyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide (CID 158109281) is N-[3-(4-tert-butylphenyl)-1-(4-ethoxyphenyl)-2-oxopropyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(4-tert-butylphenyl)-1-(4-ethoxyphenyl)-2-oxopropyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(4-tert-butylphenyl)-1-(4-ethoxyphenyl)-2-oxopropyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide is CCOc1ccc(C(C(=O)Cc2ccc(C(C)(C)C)cc2)N(C)C(=O)c2cc(=O)[nH]o2)cc1.
What is the InChIKey of N-[3-(4-tert-butylphenyl)-1-(4-ethoxyphenyl)-2-oxopropyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide?
The InChIKey is FQFMIRKLGYPYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-6-32-20-13-9-18(10-14-20)24(28(5)25(31)22-16-23(30)27-33-22)21(29)15-17-7-11-19(12-8-17)26(2,3)4/h7-14,16,24H,6,15H2,1-5H3,(H,27,30).
What are the key properties of N-[3-(4-tert-butylphenyl)-1-(4-ethoxyphenyl)-2-oxopropyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide?
N-[3-(4-tert-butylphenyl)-1-(4-ethoxyphenyl)-2-oxopropyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylphenyl)-1-(4-ethoxyphenyl)-2-oxopropyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 158109281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).