2-cyano-N-icosylacetamide

C23H44N2O — CID 87316751

IUPAC2-cyano-N-icosylacetamide
SMILESCCCCCCCCCCCCCCCCCCCCNC(=O)CC#N
InChIInChI=1S/C23H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23(26)20-21-24/h2-20,22H2,1H3,(H,25,26)
InChIKeyKOLKMPHNFZAHHZ-UHFFFAOYSA-N
MW364.62 g/mol
LogP7.06
Rot. Bonds20

About 2-cyano-N-icosylacetamide

2-cyano-N-icosylacetamide (PubChem CID 87316751) has the molecular formula C23H44N2O and a molecular weight of 364.62 g/mol. Its IUPAC name is 2-cyano-N-icosylacetamide.

Molecular Properties

Compound Name2-cyano-N-icosylacetamide
PubChem CID87316751
Molecular FormulaC23H44N2O
Molecular Weight364.62 g/mol
Exact Mass364.35
IUPAC Name2-cyano-N-icosylacetamide
SMILESCCCCCCCCCCCCCCCCCCCCNC(=O)CC#N
InChIInChI=1S/C23H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23(26)20-21-24/h2-20,22H2,1H3,(H,25,26)
InChIKeyKOLKMPHNFZAHHZ-UHFFFAOYSA-N
XLogP7.06
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[4-(diethylamino)butyl]acetamide
CID 22689010
N-(4-cyanobutyl)octanamide
CID 63284822
N-[4-[(2-cyanoacetyl)amino]butyl]-2-methylprop-2-enamide
CID 146301935
2-cyano-N-hex-5-ynylacetamide
CID 104920077
ethane;N-undecylpropanamide
CID 155706114
N-tetradecylpentanamide
CID 87172595
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N'-heptyl-N-hexylpentanediamide
CID 154688669
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-icosylacetamide?
The IUPAC name of 2-cyano-N-icosylacetamide (CID 87316751) is 2-cyano-N-icosylacetamide.
What is the SMILES notation for 2-cyano-N-icosylacetamide?
The canonical SMILES for 2-cyano-N-icosylacetamide is CCCCCCCCCCCCCCCCCCCCNC(=O)CC#N.
What is the InChIKey of 2-cyano-N-icosylacetamide?
The InChIKey is KOLKMPHNFZAHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23(26)20-21-24/h2-20,22H2,1H3,(H,25,26).
What are the key properties of 2-cyano-N-icosylacetamide?
2-cyano-N-icosylacetamide has a molecular weight of 364.62 g/mol, XLogP of 7.06, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-icosylacetamide is sourced from PubChem (CID 87316751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).