N-hexyl-3-phenylprop-2-ynamide

C15H19NO — CID 155936824

IUPACN-hexyl-3-phenylprop-2-ynamide
SMILESCCCCCCNC(=O)C#Cc1ccccc1
InChIInChI=1S/C15H19NO/c1-2-3-4-8-13-16-15(17)12-11-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,13H2,1H3,(H,16,17)
InChIKeyGRKSJKYPUPZZDQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.73
Rot. Bonds5

About N-hexyl-3-phenylprop-2-ynamide

N-hexyl-3-phenylprop-2-ynamide (PubChem CID 155936824) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-hexyl-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-hexyl-3-phenylprop-2-ynamide
PubChem CID155936824
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-hexyl-3-phenylprop-2-ynamide
SMILESCCCCCCNC(=O)C#Cc1ccccc1
InChIInChI=1S/C15H19NO/c1-2-3-4-8-13-16-15(17)12-11-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,13H2,1H3,(H,16,17)
InChIKeyGRKSJKYPUPZZDQ-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-phenylprop-2-ynamide
CID 141247412
N-dodecyl-2,2-diphenylacetamide
CID 5143289
N,N'-dihexyl-2-phenylpropanediamide
CID 3396321
N-butyl-3-(4-methoxyphenyl)prop-2-ynamide
CID 50917907
methyl 2-(3-phenylprop-2-ynoylamino)acetate
CID 17144567
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-phenylprop-2-ynamide
CID 97039116
N-phenacyl-3-phenylprop-2-ynamide
CID 155676279
1-dodecyl-3-phenylurea
CID 3697946
3-bromo-N-heptylprop-2-ynamide
CID 19434641
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
N-[(E)-but-2-enyl]-3-phenylprop-2-ynamide
CID 11805711

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-phenylprop-2-ynamide?
The IUPAC name of N-hexyl-3-phenylprop-2-ynamide (CID 155936824) is N-hexyl-3-phenylprop-2-ynamide.
What is the SMILES notation for N-hexyl-3-phenylprop-2-ynamide?
The canonical SMILES for N-hexyl-3-phenylprop-2-ynamide is CCCCCCNC(=O)C#Cc1ccccc1.
What is the InChIKey of N-hexyl-3-phenylprop-2-ynamide?
The InChIKey is GRKSJKYPUPZZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-3-4-8-13-16-15(17)12-11-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,13H2,1H3,(H,16,17).
What are the key properties of N-hexyl-3-phenylprop-2-ynamide?
N-hexyl-3-phenylprop-2-ynamide has a molecular weight of 229.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-phenylprop-2-ynamide is sourced from PubChem (CID 155936824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).