5-carbamoyl-6,6,6-triphenylhexanoic acid

C25H25NO3 — CID 57145609

IUPAC5-carbamoyl-6,6,6-triphenylhexanoic acid
SMILESNC(=O)C(CCCC(=O)O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c26-24(29)22(17-10-18-23(27)28)25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,22H,10,17-18H2,(H2,26,29)(H,27,28)
InChIKeyMAQGTFAPEWHFEC-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.38
Rot. Bonds9

About 5-carbamoyl-6,6,6-triphenylhexanoic acid

5-carbamoyl-6,6,6-triphenylhexanoic acid (PubChem CID 57145609) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 5-carbamoyl-6,6,6-triphenylhexanoic acid.

Molecular Properties

Compound Name5-carbamoyl-6,6,6-triphenylhexanoic acid
PubChem CID57145609
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name5-carbamoyl-6,6,6-triphenylhexanoic acid
SMILESNC(=O)C(CCCC(=O)O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c26-24(29)22(17-10-18-23(27)28)25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,22H,10,17-18H2,(H2,26,29)(H,27,28)
InChIKeyMAQGTFAPEWHFEC-UHFFFAOYSA-N
XLogP4.38
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-carbamoyl-6,6,6-triphenylhexanoic acid?
The IUPAC name of 5-carbamoyl-6,6,6-triphenylhexanoic acid (CID 57145609) is 5-carbamoyl-6,6,6-triphenylhexanoic acid.
What is the SMILES notation for 5-carbamoyl-6,6,6-triphenylhexanoic acid?
The canonical SMILES for 5-carbamoyl-6,6,6-triphenylhexanoic acid is NC(=O)C(CCCC(=O)O)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-carbamoyl-6,6,6-triphenylhexanoic acid?
The InChIKey is MAQGTFAPEWHFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c26-24(29)22(17-10-18-23(27)28)25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,22H,10,17-18H2,(H2,26,29)(H,27,28).
What are the key properties of 5-carbamoyl-6,6,6-triphenylhexanoic acid?
5-carbamoyl-6,6,6-triphenylhexanoic acid has a molecular weight of 387.48 g/mol, XLogP of 4.38, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-6,6,6-triphenylhexanoic acid is sourced from PubChem (CID 57145609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).