N-phenyl-2-(6-phenylhexan-2-yl)benzamide

C25H27NO — CID 177445932

IUPACN-phenyl-2-(6-phenylhexan-2-yl)benzamide
SMILESCC(CCCCc1ccccc1)c1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H27NO/c1-20(12-8-9-15-21-13-4-2-5-14-21)23-18-10-11-19-24(23)25(27)26-22-16-6-3-7-17-22/h2-7,10-11,13-14,16-20H,8-9,12,15H2,1H3,(H,26,27)
InChIKeyZSQJWQZXOSEWLI-UHFFFAOYSA-N
MW357.50 g/mol
LogP6.46
Rot. Bonds8

About N-phenyl-2-(6-phenylhexan-2-yl)benzamide

N-phenyl-2-(6-phenylhexan-2-yl)benzamide (PubChem CID 177445932) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is N-phenyl-2-(6-phenylhexan-2-yl)benzamide.

Molecular Properties

Compound NameN-phenyl-2-(6-phenylhexan-2-yl)benzamide
PubChem CID177445932
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC NameN-phenyl-2-(6-phenylhexan-2-yl)benzamide
SMILESCC(CCCCc1ccccc1)c1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H27NO/c1-20(12-8-9-15-21-13-4-2-5-14-21)23-18-10-11-19-24(23)25(27)26-22-16-6-3-7-17-22/h2-7,10-11,13-14,16-20H,8-9,12,15H2,1H3,(H,26,27)
InChIKeyZSQJWQZXOSEWLI-UHFFFAOYSA-N
XLogP6.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

oxo-[1-[2-(phenylcarbamoyl)phenyl]ethyl]sulfanium
CID 174297215
trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium
CID 102451163
[3-[(2R)-6-phenylhexan-2-yl]-2-pyridinyl] hydrogen carbonate
CID 118915575
6-phenylhexan-2-ylbenzene
CID 19704587
[(2R)-5-phenylpentan-2-yl]urea
CID 70818024
N-(4-butylphenyl)-2-sulfanylbenzamide
CID 107022706
propan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate
CID 1183511
N-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide
CID 55609495
2-amino-N-(4-pentylphenyl)benzamide
CID 16768967
(2R)-2-[[(2S)-1-[[(2S)-1-anilino-1-oxo-6-phenylhexan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid
CID 10436564
2-butyl-N-phenylbenzamide
CID 3695058
N-phenyl-2-(2-phenylethylamino)propanamide
CID 43083341

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(6-phenylhexan-2-yl)benzamide?
The IUPAC name of N-phenyl-2-(6-phenylhexan-2-yl)benzamide (CID 177445932) is N-phenyl-2-(6-phenylhexan-2-yl)benzamide.
What is the SMILES notation for N-phenyl-2-(6-phenylhexan-2-yl)benzamide?
The canonical SMILES for N-phenyl-2-(6-phenylhexan-2-yl)benzamide is CC(CCCCc1ccccc1)c1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-(6-phenylhexan-2-yl)benzamide?
The InChIKey is ZSQJWQZXOSEWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-20(12-8-9-15-21-13-4-2-5-14-21)23-18-10-11-19-24(23)25(27)26-22-16-6-3-7-17-22/h2-7,10-11,13-14,16-20H,8-9,12,15H2,1H3,(H,26,27).
What are the key properties of N-phenyl-2-(6-phenylhexan-2-yl)benzamide?
N-phenyl-2-(6-phenylhexan-2-yl)benzamide has a molecular weight of 357.50 g/mol, XLogP of 6.46, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(6-phenylhexan-2-yl)benzamide is sourced from PubChem (CID 177445932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).