propan-2-yl 2-[4-(4-aminobenzoyl)phenoxy]-2-methylpropanoate

C20H23NO4 — CID 145449077

IUPACpropan-2-yl 2-[4-(4-aminobenzoyl)phenoxy]-2-methylpropanoate
SMILESCC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,21H2,1-4H3
InChIKeyZZCLRFQXVJGKQP-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.61
Rot. Bonds6

About propan-2-yl 2-[4-(4-aminobenzoyl)phenoxy]-2-methylpropanoate

propan-2-yl 2-[4-(4-aminobenzoyl)phenoxy]-2-methylpropanoate (PubChem CID 145449077) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is propan-2-yl 2-[4-(4-aminobenzoyl)phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(4-aminobenzoyl)phenoxy]-2-methylpropanoate
PubChem CID145449077
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namepropan-2-yl 2-[4-(4-aminobenzoyl)phenoxy]-2-methylpropanoate
SMILESCC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,21H2,1-4H3
InChIKeyZZCLRFQXVJGKQP-UHFFFAOYSA-N
XLogP3.61
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-[4-(4-hydroxybenzoyl)phenoxy]-2-methylpropanoate
CID 23328939
propan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate
CID 142223299
propan-2-yl 2-[4-[4-[(E)-2-fluorosulfonylethenyl]benzoyl]phenoxy]-2-methylpropanoate
CID 175877344
propan-2-yl 2-[4-(4-chlorobenzoyl)-2,3,5,6-tetradeuteriophenoxy]-2-methylpropanoate
CID 25145134
propan-2-yl 2-[3-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 59685204
propan-2-yl 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 146594149
propan-2-yl 2-[4-(4-chloro-2,3,5,6-tetradeuteriobenzoyl)-2,3,5,6-tetradeuteriophenoxy]-2-methylpropanoate
CID 25145709
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
CID 145003434
[4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone
CID 58298849
4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline;bis(4-aminophenyl)methanone
CID 175338942
tert-butyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 21299693
2-deuteriopropan-2-yl 2-[4-(4-chloro-2,3,5,6-tetradeuteriobenzoyl)phenoxy]-3,3,3-trideuterio-2-methylpropanoate
CID 25144718

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(4-aminobenzoyl)phenoxy]-2-methylpropanoate?
The IUPAC name of propan-2-yl 2-[4-(4-aminobenzoyl)phenoxy]-2-methylpropanoate (CID 145449077) is propan-2-yl 2-[4-(4-aminobenzoyl)phenoxy]-2-methylpropanoate.
What is the SMILES notation for propan-2-yl 2-[4-(4-aminobenzoyl)phenoxy]-2-methylpropanoate?
The canonical SMILES for propan-2-yl 2-[4-(4-aminobenzoyl)phenoxy]-2-methylpropanoate is CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of propan-2-yl 2-[4-(4-aminobenzoyl)phenoxy]-2-methylpropanoate?
The InChIKey is ZZCLRFQXVJGKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,21H2,1-4H3.
What are the key properties of propan-2-yl 2-[4-(4-aminobenzoyl)phenoxy]-2-methylpropanoate?
propan-2-yl 2-[4-(4-aminobenzoyl)phenoxy]-2-methylpropanoate has a molecular weight of 341.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-(4-aminobenzoyl)phenoxy]-2-methylpropanoate is sourced from PubChem (CID 145449077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).