N-icosyl-2-methylprop-2-enamide

C24H47NO — CID 22336363

IUPACN-icosyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C24H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-24(26)23(2)3/h2,4-22H2,1,3H3,(H,25,26)
InChIKeyXCDJUQPITKVQKB-UHFFFAOYSA-N
MW365.65 g/mol
LogP7.72
Rot. Bonds20

About N-icosyl-2-methylprop-2-enamide

N-icosyl-2-methylprop-2-enamide (PubChem CID 22336363) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is N-icosyl-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-icosyl-2-methylprop-2-enamide
PubChem CID22336363
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC NameN-icosyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C24H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-24(26)23(2)3/h2,4-22H2,1,3H3,(H,25,26)
InChIKeyXCDJUQPITKVQKB-UHFFFAOYSA-N
XLogP7.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
CID 87504173
2-methyl-N-[3-(octadecylamino)-3-oxopropyl]prop-2-enamide
CID 176871830
2-methyl-N-(4-pentoxybutyl)prop-2-enamide
CID 102118160
2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide
CID 18464100
dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-octylazanium
CID 87318996
N,N'-diheptyloxamide
CID 3417538
N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene
CID 174789419
N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
CID 22292211
butane;N-decyl-2-methylprop-2-enamide;N-decylprop-2-enamide;N-dodecyl-2-methylprop-2-enamide;N-dodecylprop-2-enamide;ethane;methane;2-methyl-N-nonylprop-2-enamide;2-methyl-N-octylprop-2-enamide;2-methyl-N-undecylprop-2-enamide;N-nonylprop-2-enamide;N-octylprop-2-enamide;propane;N-undecylprop-2-enamide
CID 159543173
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
dodecyl-diethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium bromide
CID 139629172
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836

Frequently Asked Questions

What is the IUPAC name of N-icosyl-2-methylprop-2-enamide?
The IUPAC name of N-icosyl-2-methylprop-2-enamide (CID 22336363) is N-icosyl-2-methylprop-2-enamide.
What is the SMILES notation for N-icosyl-2-methylprop-2-enamide?
The canonical SMILES for N-icosyl-2-methylprop-2-enamide is C=C(C)C(=O)NCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of N-icosyl-2-methylprop-2-enamide?
The InChIKey is XCDJUQPITKVQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-24(26)23(2)3/h2,4-22H2,1,3H3,(H,25,26).
What are the key properties of N-icosyl-2-methylprop-2-enamide?
N-icosyl-2-methylprop-2-enamide has a molecular weight of 365.65 g/mol, XLogP of 7.72, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-icosyl-2-methylprop-2-enamide is sourced from PubChem (CID 22336363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).