N-hexyl-3,3,3-triphenylpropanamide

C27H31NO — CID 11417778

IUPACN-hexyl-3,3,3-triphenylpropanamide
SMILESCCCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31NO/c1-2-3-4-14-21-28-26(29)22-27(23-15-8-5-9-16-23,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h5-13,15-20H,2-4,14,21-22H2,1H3,(H,28,29)
InChIKeyYYKKYLGYGIFNIW-UHFFFAOYSA-N
MW385.55 g/mol
LogP6.11
Rot. Bonds10

About N-hexyl-3,3,3-triphenylpropanamide

N-hexyl-3,3,3-triphenylpropanamide (PubChem CID 11417778) has the molecular formula C27H31NO and a molecular weight of 385.55 g/mol. Its IUPAC name is N-hexyl-3,3,3-triphenylpropanamide.

Molecular Properties

Compound NameN-hexyl-3,3,3-triphenylpropanamide
PubChem CID11417778
Molecular FormulaC27H31NO
Molecular Weight385.55 g/mol
Exact Mass385.24
IUPAC NameN-hexyl-3,3,3-triphenylpropanamide
SMILESCCCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31NO/c1-2-3-4-14-21-28-26(29)22-27(23-15-8-5-9-16-23,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h5-13,15-20H,2-4,14,21-22H2,1H3,(H,28,29)
InChIKeyYYKKYLGYGIFNIW-UHFFFAOYSA-N
XLogP6.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-N-tetradecylbutanamide
CID 156529855
N-(4-acetamidobutyl)-3-methyl-3-phenylbutanamide
CID 110356790
N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide
CID 78801953
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430
2-[2-(octylamino)-2-oxoethyl]benzoic acid
CID 104601721
1-dodecyl-3-phenylurea
CID 3697946
N,N'-dihexyl-2-phenylpropanediamide
CID 3396321
N-dodecyl-2,2-diphenylacetamide
CID 5143289
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide
CID 110309467
N-(4-phenylbutyl)hexanamide
CID 4985988
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3,3,3-triphenylpropanamide?
The IUPAC name of N-hexyl-3,3,3-triphenylpropanamide (CID 11417778) is N-hexyl-3,3,3-triphenylpropanamide.
What is the SMILES notation for N-hexyl-3,3,3-triphenylpropanamide?
The canonical SMILES for N-hexyl-3,3,3-triphenylpropanamide is CCCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-hexyl-3,3,3-triphenylpropanamide?
The InChIKey is YYKKYLGYGIFNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO/c1-2-3-4-14-21-28-26(29)22-27(23-15-8-5-9-16-23,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h5-13,15-20H,2-4,14,21-22H2,1H3,(H,28,29).
What are the key properties of N-hexyl-3,3,3-triphenylpropanamide?
N-hexyl-3,3,3-triphenylpropanamide has a molecular weight of 385.55 g/mol, XLogP of 6.11, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3,3,3-triphenylpropanamide is sourced from PubChem (CID 11417778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).