2,2-dimethyl-6-phenyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexanamide

C26H35NO2 — CID 10620606

IUPAC2,2-dimethyl-6-phenyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexanamide
SMILESCc1cc(C)c(NC(=O)C(C)(C)CCCCc2ccccc2)c2c1CC(C)(C)O2
InChIInChI=1S/C26H35NO2/c1-18-16-19(2)22(23-21(18)17-26(5,6)29-23)27-24(28)25(3,4)15-11-10-14-20-12-8-7-9-13-20/h7-9,12-13,16H,10-11,14-15,17H2,1-6H3,(H,27,28)
InChIKeyNWJCOQRMTAOTOX-UHFFFAOYSA-N
MW393.57 g/mol
LogP6.39
Rot. Bonds7

About 2,2-dimethyl-6-phenyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexanamide

2,2-dimethyl-6-phenyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexanamide (PubChem CID 10620606) has the molecular formula C26H35NO2 and a molecular weight of 393.57 g/mol. Its IUPAC name is 2,2-dimethyl-6-phenyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexanamide.

Molecular Properties

Compound Name2,2-dimethyl-6-phenyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexanamide
PubChem CID10620606
Molecular FormulaC26H35NO2
Molecular Weight393.57 g/mol
Exact Mass393.27
IUPAC Name2,2-dimethyl-6-phenyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexanamide
SMILESCc1cc(C)c(NC(=O)C(C)(C)CCCCc2ccccc2)c2c1CC(C)(C)O2
InChIInChI=1S/C26H35NO2/c1-18-16-19(2)22(23-21(18)17-26(5,6)29-23)27-24(28)25(3,4)15-11-10-14-20-12-8-7-9-13-20/h7-9,12-13,16H,10-11,14-15,17H2,1-6H3,(H,27,28)
InChIKeyNWJCOQRMTAOTOX-UHFFFAOYSA-N
XLogP6.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(4-chlorophenoxy)hexoxy]-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)benzamide
CID 10530025
N,N,2,2-tetramethyl-7-phenylheptanamide
CID 142211557
2-methyl-2-(4-phenylbutyl)propanedioic acid
CID 22618855
2-[(2,2-dimethyl-5-phenylpentanoyl)amino]propanoic acid
CID 119225136
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide
CID 54783951
N-(2-aminoethyl)-2,2-dimethyl-5-phenylpentanamide
CID 119382289
7-[3-(6-carboxy-6-methylheptyl)phenyl]-2,2-dimethylheptanoic acid
CID 155770738
3-[[4-[(2,2-dimethyl-5-phenylpentanoyl)amino]benzoyl]amino]propanoic acid
CID 119222892
2,2-dimethyl-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid
CID 15667459
N-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide
CID 111121758
2-methyl-6-phenylhexan-2-ol
CID 12716611
2,2-dimethyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 132571622

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-phenyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexanamide?
The IUPAC name of 2,2-dimethyl-6-phenyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexanamide (CID 10620606) is 2,2-dimethyl-6-phenyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexanamide.
What is the SMILES notation for 2,2-dimethyl-6-phenyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexanamide?
The canonical SMILES for 2,2-dimethyl-6-phenyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexanamide is Cc1cc(C)c(NC(=O)C(C)(C)CCCCc2ccccc2)c2c1CC(C)(C)O2.
What is the InChIKey of 2,2-dimethyl-6-phenyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexanamide?
The InChIKey is NWJCOQRMTAOTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO2/c1-18-16-19(2)22(23-21(18)17-26(5,6)29-23)27-24(28)25(3,4)15-11-10-14-20-12-8-7-9-13-20/h7-9,12-13,16H,10-11,14-15,17H2,1-6H3,(H,27,28).
What are the key properties of 2,2-dimethyl-6-phenyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexanamide?
2,2-dimethyl-6-phenyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexanamide has a molecular weight of 393.57 g/mol, XLogP of 6.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-phenyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexanamide is sourced from PubChem (CID 10620606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).