N-(3,3-diphenylpropyl)-2-hydroxy-2-phenylheptanamide

C28H33NO2 — CID 11154247

IUPACN-(3,3-diphenylpropyl)-2-hydroxy-2-phenylheptanamide
SMILESCCCCCC(O)(C(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO2/c1-2-3-13-21-28(31,25-18-11-6-12-19-25)27(30)29-22-20-26(23-14-7-4-8-15-23)24-16-9-5-10-17-24/h4-12,14-19,26,31H,2-3,13,20-22H2,1H3,(H,29,30)
InChIKeyFZSIKVTUCJXSHD-UHFFFAOYSA-N
MW415.58 g/mol
LogP5.79
Rot. Bonds11

About N-(3,3-diphenylpropyl)-2-hydroxy-2-phenylheptanamide

N-(3,3-diphenylpropyl)-2-hydroxy-2-phenylheptanamide (PubChem CID 11154247) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-hydroxy-2-phenylheptanamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-hydroxy-2-phenylheptanamide
PubChem CID11154247
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC NameN-(3,3-diphenylpropyl)-2-hydroxy-2-phenylheptanamide
SMILESCCCCCC(O)(C(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO2/c1-2-3-13-21-28(31,25-18-11-6-12-19-25)27(30)29-22-20-26(23-14-7-4-8-15-23)24-16-9-5-10-17-24/h4-12,14-19,26,31H,2-3,13,20-22H2,1H3,(H,29,30)
InChIKeyFZSIKVTUCJXSHD-UHFFFAOYSA-N
XLogP5.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-hydroxy-2-phenylheptanamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-hydroxy-2-phenylheptanamide (CID 11154247) is N-(3,3-diphenylpropyl)-2-hydroxy-2-phenylheptanamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-hydroxy-2-phenylheptanamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-hydroxy-2-phenylheptanamide is CCCCCC(O)(C(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-hydroxy-2-phenylheptanamide?
The InChIKey is FZSIKVTUCJXSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO2/c1-2-3-13-21-28(31,25-18-11-6-12-19-25)27(30)29-22-20-26(23-14-7-4-8-15-23)24-16-9-5-10-17-24/h4-12,14-19,26,31H,2-3,13,20-22H2,1H3,(H,29,30).
What are the key properties of N-(3,3-diphenylpropyl)-2-hydroxy-2-phenylheptanamide?
N-(3,3-diphenylpropyl)-2-hydroxy-2-phenylheptanamide has a molecular weight of 415.58 g/mol, XLogP of 5.79, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-hydroxy-2-phenylheptanamide is sourced from PubChem (CID 11154247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).