3-[3-(5-benzyl-2-carbamoylphenyl)phenyl]-2-cyclopropylpropanoic acid

C26H25NO3 — CID 155523326

IUPAC3-[3-(5-benzyl-2-carbamoylphenyl)phenyl]-2-cyclopropylpropanoic acid
SMILESNC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CC(C(=O)O)C2CC2)c1
InChIInChI=1S/C26H25NO3/c27-25(28)22-12-9-19(13-17-5-2-1-3-6-17)15-23(22)21-8-4-7-18(14-21)16-24(26(29)30)20-10-11-20/h1-9,12,14-15,20,24H,10-11,13,16H2,(H2,27,28)(H,29,30)
InChIKeyRRBVXADNZFNDJD-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.70
Rot. Bonds8

About 3-[3-(5-benzyl-2-carbamoylphenyl)phenyl]-2-cyclopropylpropanoic acid

3-[3-(5-benzyl-2-carbamoylphenyl)phenyl]-2-cyclopropylpropanoic acid (PubChem CID 155523326) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-[3-(5-benzyl-2-carbamoylphenyl)phenyl]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-[3-(5-benzyl-2-carbamoylphenyl)phenyl]-2-cyclopropylpropanoic acid
PubChem CID155523326
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name3-[3-(5-benzyl-2-carbamoylphenyl)phenyl]-2-cyclopropylpropanoic acid
SMILESNC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CC(C(=O)O)C2CC2)c1
InChIInChI=1S/C26H25NO3/c27-25(28)22-12-9-19(13-17-5-2-1-3-6-17)15-23(22)21-8-4-7-18(14-21)16-24(26(29)30)20-10-11-20/h1-9,12,14-15,20,24H,10-11,13,16H2,(H2,27,28)(H,29,30)
InChIKeyRRBVXADNZFNDJD-UHFFFAOYSA-N
XLogP4.70
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-benzyl-2-carbamoylphenyl)phenyl]-2-cyclopropylpropanoic acid?
The IUPAC name of 3-[3-(5-benzyl-2-carbamoylphenyl)phenyl]-2-cyclopropylpropanoic acid (CID 155523326) is 3-[3-(5-benzyl-2-carbamoylphenyl)phenyl]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 3-[3-(5-benzyl-2-carbamoylphenyl)phenyl]-2-cyclopropylpropanoic acid?
The canonical SMILES for 3-[3-(5-benzyl-2-carbamoylphenyl)phenyl]-2-cyclopropylpropanoic acid is NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CC(C(=O)O)C2CC2)c1.
What is the InChIKey of 3-[3-(5-benzyl-2-carbamoylphenyl)phenyl]-2-cyclopropylpropanoic acid?
The InChIKey is RRBVXADNZFNDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c27-25(28)22-12-9-19(13-17-5-2-1-3-6-17)15-23(22)21-8-4-7-18(14-21)16-24(26(29)30)20-10-11-20/h1-9,12,14-15,20,24H,10-11,13,16H2,(H2,27,28)(H,29,30).
What are the key properties of 3-[3-(5-benzyl-2-carbamoylphenyl)phenyl]-2-cyclopropylpropanoic acid?
3-[3-(5-benzyl-2-carbamoylphenyl)phenyl]-2-cyclopropylpropanoic acid has a molecular weight of 399.49 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-benzyl-2-carbamoylphenyl)phenyl]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 155523326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).