tert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate

C30H33NO4 — CID 58508599

IUPACtert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate
SMILESCC(C)(C)OC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1cc(C2CCCCC2)ccc1O
InChIInChI=1S/C30H33NO4/c1-30(2,3)35-29(34)24-16-14-23(21-12-8-5-9-13-21)19-26(24)31-28(33)25-18-22(15-17-27(25)32)20-10-6-4-7-11-20/h5,8-9,12-20,32H,4,6-7,10-11H2,1-3H3,(H,31,33)
InChIKeyCIMHCZMRZPPTEC-UHFFFAOYSA-N
MW471.60 g/mol
LogP7.31
Rot. Bonds5

About tert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate

tert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate (PubChem CID 58508599) has the molecular formula C30H33NO4 and a molecular weight of 471.60 g/mol. Its IUPAC name is tert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate.

Molecular Properties

Compound Nametert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate
PubChem CID58508599
Molecular FormulaC30H33NO4
Molecular Weight471.60 g/mol
Exact Mass471.24
IUPAC Nametert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate
SMILESCC(C)(C)OC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1cc(C2CCCCC2)ccc1O
InChIInChI=1S/C30H33NO4/c1-30(2,3)35-29(34)24-16-14-23(21-12-8-5-9-13-21)19-26(24)31-28(33)25-18-22(15-17-27(25)32)20-10-6-4-7-11-20/h5,8-9,12-20,32H,4,6-7,10-11H2,1-3H3,(H,31,33)
InChIKeyCIMHCZMRZPPTEC-UHFFFAOYSA-N
XLogP7.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate?
The IUPAC name of tert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate (CID 58508599) is tert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate.
What is the SMILES notation for tert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate?
The canonical SMILES for tert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate is CC(C)(C)OC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1cc(C2CCCCC2)ccc1O.
What is the InChIKey of tert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate?
The InChIKey is CIMHCZMRZPPTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NO4/c1-30(2,3)35-29(34)24-16-14-23(21-12-8-5-9-13-21)19-26(24)31-28(33)25-18-22(15-17-27(25)32)20-10-6-4-7-11-20/h5,8-9,12-20,32H,4,6-7,10-11H2,1-3H3,(H,31,33).
What are the key properties of tert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate?
tert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate has a molecular weight of 471.60 g/mol, XLogP of 7.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate is sourced from PubChem (CID 58508599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).