N-(1,3-diphenylpropan-2-yl)icos-7-en-2-ynamide

C35H49NO — CID 54169500

IUPACN-(1,3-diphenylpropan-2-yl)icos-7-en-2-ynamide
SMILESCCCCCCCCCCCCC=CCCCC#CC(=O)NC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C35H49NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-35(37)36-34(30-32-25-20-18-21-26-32)31-33-27-22-19-23-28-33/h13-14,18-23,25-28,34H,2-12,15-17,30-31H2,1H3,(H,36,37)
InChIKeyOTZUEBPUHBLXLN-UHFFFAOYSA-N
MW499.78 g/mol
LogP9.00
Rot. Bonds19

About N-(1,3-diphenylpropan-2-yl)icos-7-en-2-ynamide

N-(1,3-diphenylpropan-2-yl)icos-7-en-2-ynamide (PubChem CID 54169500) has the molecular formula C35H49NO and a molecular weight of 499.78 g/mol. Its IUPAC name is N-(1,3-diphenylpropan-2-yl)icos-7-en-2-ynamide.

Molecular Properties

Compound NameN-(1,3-diphenylpropan-2-yl)icos-7-en-2-ynamide
PubChem CID54169500
Molecular FormulaC35H49NO
Molecular Weight499.78 g/mol
Exact Mass499.38
IUPAC NameN-(1,3-diphenylpropan-2-yl)icos-7-en-2-ynamide
SMILESCCCCCCCCCCCCC=CCCCC#CC(=O)NC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C35H49NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-35(37)36-34(30-32-25-20-18-21-26-32)31-33-27-22-19-23-28-33/h13-14,18-23,25-28,34H,2-12,15-17,30-31H2,1H3,(H,36,37)
InChIKeyOTZUEBPUHBLXLN-UHFFFAOYSA-N
XLogP9.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.78
LogP ≤ 59.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(1-phenylethyl)icos-11-en-2-ynamide
CID 70506043
N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-2-ynamide
CID 54531392
N-[(E,2S)-1-hydroxyoctadec-4-en-2-yl]-2-phenylacetamide
CID 54753593
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
CID 102673841
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
CID 42364081
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide
CID 15667273
1-(2,5-dihydroxypyrrol-1-yl)octadec-7-en-2-yn-1-one
CID 54411756
3-(octanoylamino)-4-phenylbutanoic acid
CID 67920843
[(2R)-2-[[(Z)-heptadec-8-enoyl]amino]-3-(4-phenylphenyl)propyl]phosphonic acid
CID 11376163
(E)-N-benzylhexadec-4-enamide
CID 175178729
N-benzyldocos-13-enamide;hydrochloride
CID 173286408
(Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide
CID 14500780

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpropan-2-yl)icos-7-en-2-ynamide?
The IUPAC name of N-(1,3-diphenylpropan-2-yl)icos-7-en-2-ynamide (CID 54169500) is N-(1,3-diphenylpropan-2-yl)icos-7-en-2-ynamide.
What is the SMILES notation for N-(1,3-diphenylpropan-2-yl)icos-7-en-2-ynamide?
The canonical SMILES for N-(1,3-diphenylpropan-2-yl)icos-7-en-2-ynamide is CCCCCCCCCCCCC=CCCCC#CC(=O)NC(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-(1,3-diphenylpropan-2-yl)icos-7-en-2-ynamide?
The InChIKey is OTZUEBPUHBLXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H49NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-35(37)36-34(30-32-25-20-18-21-26-32)31-33-27-22-19-23-28-33/h13-14,18-23,25-28,34H,2-12,15-17,30-31H2,1H3,(H,36,37).
What are the key properties of N-(1,3-diphenylpropan-2-yl)icos-7-en-2-ynamide?
N-(1,3-diphenylpropan-2-yl)icos-7-en-2-ynamide has a molecular weight of 499.78 g/mol, XLogP of 9.00, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpropan-2-yl)icos-7-en-2-ynamide is sourced from PubChem (CID 54169500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).