[4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate

C26H27NO4 — CID 53266389

IUPAC[4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate
SMILESCC(Oc1ccccc1C(C)(C)C)C(=O)Oc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C26H27NO4/c1-18(30-23-13-9-8-12-22(23)26(2,3)4)25(29)31-21-16-14-19(15-17-21)24(28)27-20-10-6-5-7-11-20/h5-18H,1-4H3,(H,27,28)
InChIKeyFUOGULXAQANMMJ-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.61
Rot. Bonds6

About [4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate

[4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate (PubChem CID 53266389) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is [4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate.

Molecular Properties

Compound Name[4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate
PubChem CID53266389
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC Name[4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate
SMILESCC(Oc1ccccc1C(C)(C)C)C(=O)Oc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C26H27NO4/c1-18(30-23-13-9-8-12-22(23)26(2,3)4)25(29)31-21-16-14-19(15-17-21)24(28)27-20-10-6-5-7-11-20/h5-18H,1-4H3,(H,27,28)
InChIKeyFUOGULXAQANMMJ-UHFFFAOYSA-N
XLogP5.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-tert-butylphenoxy)propanoate
CID 53266390
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate
CID 53266760
N-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide
CID 53266435
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate
CID 53266767
propan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate
CID 53266510
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate
CID 53265852
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate
CID 53266780
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
(4-benzamidophenyl) 2-acetamidopropanoate
CID 78778854
(2-tert-butylphenyl) N-phenylcarbamate
CID 681743
2-(2-tert-butylphenoxy)-N-(3-methylphenyl)propanamide
CID 53266482
N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235390

Frequently Asked Questions

What is the IUPAC name of [4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate?
The IUPAC name of [4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate (CID 53266389) is [4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate.
What is the SMILES notation for [4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate?
The canonical SMILES for [4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate is CC(Oc1ccccc1C(C)(C)C)C(=O)Oc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of [4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate?
The InChIKey is FUOGULXAQANMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c1-18(30-23-13-9-8-12-22(23)26(2,3)4)25(29)31-21-16-14-19(15-17-21)24(28)27-20-10-6-5-7-11-20/h5-18H,1-4H3,(H,27,28).
What are the key properties of [4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate?
[4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate has a molecular weight of 417.51 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate is sourced from PubChem (CID 53266389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).