N-(1,2-diphenylpropan-2-yl)hexanamide

C21H27NO — CID 139775131

IUPACN-(1,2-diphenylpropan-2-yl)hexanamide
SMILESCCCCCC(=O)NC(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-3-4-7-16-20(23)22-21(2,19-14-10-6-11-15-19)17-18-12-8-5-9-13-18/h5-6,8-15H,3-4,7,16-17H2,1-2H3,(H,22,23)
InChIKeySASXBWUEBJLBLV-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.84
Rot. Bonds8

About N-(1,2-diphenylpropan-2-yl)hexanamide

N-(1,2-diphenylpropan-2-yl)hexanamide (PubChem CID 139775131) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is N-(1,2-diphenylpropan-2-yl)hexanamide.

Molecular Properties

Compound NameN-(1,2-diphenylpropan-2-yl)hexanamide
PubChem CID139775131
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC NameN-(1,2-diphenylpropan-2-yl)hexanamide
SMILESCCCCCC(=O)NC(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-3-4-7-16-20(23)22-21(2,19-14-10-6-11-15-19)17-18-12-8-5-9-13-18/h5-6,8-15H,3-4,7,16-17H2,1-2H3,(H,22,23)
InChIKeySASXBWUEBJLBLV-UHFFFAOYSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.84
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

N-(1-bromo-2-phenylpropan-2-yl)octanamide
CID 105059946
N-(1-amino-2-phenylpropan-2-yl)heptanamide
CID 105060397
2-(hexanoylamino)-2-phenylpropanoic acid
CID 62487129
2-amino-N-[(2R)-1,2-diphenylpropan-2-yl]acetamide;hydrochloride
CID 76971010
2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid
CID 3088651
N-tritylpentanamide
CID 71163215
(Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide
CID 174358193
N-(2-phenylpropan-2-yl)octadec-9-enamide;hydrochloride
CID 173172473
3-(hexanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120700832
(2R)-2-(hexadecanoylamino)-3-(4-hydroxyphenyl)-2-methylpropanoic acid
CID 156648795
2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid
CID 67712356
(2S)-2-(hexadecanoylamino)-3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 146683250

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylpropan-2-yl)hexanamide?
The IUPAC name of N-(1,2-diphenylpropan-2-yl)hexanamide (CID 139775131) is N-(1,2-diphenylpropan-2-yl)hexanamide.
What is the SMILES notation for N-(1,2-diphenylpropan-2-yl)hexanamide?
The canonical SMILES for N-(1,2-diphenylpropan-2-yl)hexanamide is CCCCCC(=O)NC(C)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,2-diphenylpropan-2-yl)hexanamide?
The InChIKey is SASXBWUEBJLBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-3-4-7-16-20(23)22-21(2,19-14-10-6-11-15-19)17-18-12-8-5-9-13-18/h5-6,8-15H,3-4,7,16-17H2,1-2H3,(H,22,23).
What are the key properties of N-(1,2-diphenylpropan-2-yl)hexanamide?
N-(1,2-diphenylpropan-2-yl)hexanamide has a molecular weight of 309.45 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylpropan-2-yl)hexanamide is sourced from PubChem (CID 139775131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).