2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide

C22H29NO2 — CID 11427771

IUPAC2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide
SMILESCCCCCC(O)(C(=O)NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO2/c1-2-3-10-17-22(25,20-15-8-5-9-16-20)21(24)23-18-11-14-19-12-6-4-7-13-19/h4-9,12-13,15-16,25H,2-3,10-11,14,17-18H2,1H3,(H,23,24)
InChIKeyWMNMITZJUSQFRG-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.20
Rot. Bonds10

About 2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide

2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide (PubChem CID 11427771) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide.

Molecular Properties

Compound Name2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide
PubChem CID11427771
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide
SMILESCCCCCC(O)(C(=O)NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO2/c1-2-3-10-17-22(25,20-15-8-5-9-16-20)21(24)23-18-11-14-19-12-6-4-7-13-19/h4-9,12-13,15-16,25H,2-3,10-11,14,17-18H2,1H3,(H,23,24)
InChIKeyWMNMITZJUSQFRG-UHFFFAOYSA-N
XLogP4.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.20
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 2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide?
The IUPAC name of 2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide (CID 11427771) is 2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide.
What is the SMILES notation for 2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide?
The canonical SMILES for 2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide is CCCCCC(O)(C(=O)NCCCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide?
The InChIKey is WMNMITZJUSQFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-2-3-10-17-22(25,20-15-8-5-9-16-20)21(24)23-18-11-14-19-12-6-4-7-13-19/h4-9,12-13,15-16,25H,2-3,10-11,14,17-18H2,1H3,(H,23,24).
What are the key properties of 2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide?
2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide has a molecular weight of 339.48 g/mol, XLogP of 4.20, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide is sourced from PubChem (CID 11427771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).