N-ethenyl-N-icosylhenicosanamide

C43H85NO — CID 20565296

IUPACN-ethenyl-N-icosylhenicosanamide
SMILESC=CN(CCCCCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H85NO/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43(45)44(6-3)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h6H,3-5,7-42H2,1-2H3
InChIKeyGRCFALDJOKECFV-UHFFFAOYSA-N
MW632.16 g/mol
LogP15.43
Rot. Bonds39

About N-ethenyl-N-icosylhenicosanamide

N-ethenyl-N-icosylhenicosanamide (PubChem CID 20565296) has the molecular formula C43H85NO and a molecular weight of 632.16 g/mol. Its IUPAC name is N-ethenyl-N-icosylhenicosanamide.

Molecular Properties

Compound NameN-ethenyl-N-icosylhenicosanamide
PubChem CID20565296
Molecular FormulaC43H85NO
Molecular Weight632.16 g/mol
Exact Mass631.66
IUPAC NameN-ethenyl-N-icosylhenicosanamide
SMILESC=CN(CCCCCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H85NO/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43(45)44(6-3)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h6H,3-5,7-42H2,1-2H3
InChIKeyGRCFALDJOKECFV-UHFFFAOYSA-N
XLogP15.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds39
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.16
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N,N,N',N'-tetraoctylhexanediamide
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N,N-dioctyltetradecanamide
CID 169083302
N-ethenyl-N-propan-2-yldecanamide
CID 87389049
N-butyl-N-octyldecanamide
CID 18913402
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide
CID 88723391
6-(octadecylcarbamoylamino)-N,N-dioctylhexanamide
CID 59961361
N-bromo-N-hydroxyheptatriacontanamide
CID 87686971

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-icosylhenicosanamide?
The IUPAC name of N-ethenyl-N-icosylhenicosanamide (CID 20565296) is N-ethenyl-N-icosylhenicosanamide.
What is the SMILES notation for N-ethenyl-N-icosylhenicosanamide?
The canonical SMILES for N-ethenyl-N-icosylhenicosanamide is C=CN(CCCCCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of N-ethenyl-N-icosylhenicosanamide?
The InChIKey is GRCFALDJOKECFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H85NO/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43(45)44(6-3)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h6H,3-5,7-42H2,1-2H3.
What are the key properties of N-ethenyl-N-icosylhenicosanamide?
N-ethenyl-N-icosylhenicosanamide has a molecular weight of 632.16 g/mol, XLogP of 15.43, 39 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-icosylhenicosanamide is sourced from PubChem (CID 20565296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).