2-benzyl-2-(1-hydroxypropyl)-6-phenylhexanamide

C22H29NO2 — CID 67325850

IUPAC2-benzyl-2-(1-hydroxypropyl)-6-phenylhexanamide
SMILESCCC(O)C(CCCCc1ccccc1)(Cc1ccccc1)C(N)=O
InChIInChI=1S/C22H29NO2/c1-2-20(24)22(21(23)25,17-19-14-7-4-8-15-19)16-10-9-13-18-11-5-3-6-12-18/h3-8,11-12,14-15,20,24H,2,9-10,13,16-17H2,1H3,(H2,23,25)
InChIKeyNZMOQODWWKWCQF-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.88
Rot. Bonds10

About 2-benzyl-2-(1-hydroxypropyl)-6-phenylhexanamide

2-benzyl-2-(1-hydroxypropyl)-6-phenylhexanamide (PubChem CID 67325850) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-benzyl-2-(1-hydroxypropyl)-6-phenylhexanamide.

Molecular Properties

Compound Name2-benzyl-2-(1-hydroxypropyl)-6-phenylhexanamide
PubChem CID67325850
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-benzyl-2-(1-hydroxypropyl)-6-phenylhexanamide
SMILESCCC(O)C(CCCCc1ccccc1)(Cc1ccccc1)C(N)=O
InChIInChI=1S/C22H29NO2/c1-2-20(24)22(21(23)25,17-19-14-7-4-8-15-19)16-10-9-13-18-11-5-3-6-12-18/h3-8,11-12,14-15,20,24H,2,9-10,13,16-17H2,1H3,(H2,23,25)
InChIKeyNZMOQODWWKWCQF-UHFFFAOYSA-N
XLogP3.88
TPSA63.32 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 ≤ 53.88
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-benzyl-2-(1-hydroxypropyl)-6-phenylhexanamide?
The IUPAC name of 2-benzyl-2-(1-hydroxypropyl)-6-phenylhexanamide (CID 67325850) is 2-benzyl-2-(1-hydroxypropyl)-6-phenylhexanamide.
What is the SMILES notation for 2-benzyl-2-(1-hydroxypropyl)-6-phenylhexanamide?
The canonical SMILES for 2-benzyl-2-(1-hydroxypropyl)-6-phenylhexanamide is CCC(O)C(CCCCc1ccccc1)(Cc1ccccc1)C(N)=O.
What is the InChIKey of 2-benzyl-2-(1-hydroxypropyl)-6-phenylhexanamide?
The InChIKey is NZMOQODWWKWCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-2-20(24)22(21(23)25,17-19-14-7-4-8-15-19)16-10-9-13-18-11-5-3-6-12-18/h3-8,11-12,14-15,20,24H,2,9-10,13,16-17H2,1H3,(H2,23,25).
What are the key properties of 2-benzyl-2-(1-hydroxypropyl)-6-phenylhexanamide?
2-benzyl-2-(1-hydroxypropyl)-6-phenylhexanamide has a molecular weight of 339.48 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(1-hydroxypropyl)-6-phenylhexanamide is sourced from PubChem (CID 67325850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).