N-hexadecyl-2-methylprop-2-enamide

C20H39NO — CID 22327743

IUPACN-hexadecyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-20(22)19(2)3/h2,4-18H2,1,3H3,(H,21,22)
InChIKeyYRGCLADHMAKURN-UHFFFAOYSA-N
MW309.54 g/mol
LogP6.16
Rot. Bonds16

About N-hexadecyl-2-methylprop-2-enamide

N-hexadecyl-2-methylprop-2-enamide (PubChem CID 22327743) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is N-hexadecyl-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-hexadecyl-2-methylprop-2-enamide
PubChem CID22327743
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC NameN-hexadecyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-20(22)19(2)3/h2,4-18H2,1,3H3,(H,21,22)
InChIKeyYRGCLADHMAKURN-UHFFFAOYSA-N
XLogP6.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 56.16
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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Frequently Asked Questions

What is the IUPAC name of N-hexadecyl-2-methylprop-2-enamide?
The IUPAC name of N-hexadecyl-2-methylprop-2-enamide (CID 22327743) is N-hexadecyl-2-methylprop-2-enamide.
What is the SMILES notation for N-hexadecyl-2-methylprop-2-enamide?
The canonical SMILES for N-hexadecyl-2-methylprop-2-enamide is C=C(C)C(=O)NCCCCCCCCCCCCCCCC.
What is the InChIKey of N-hexadecyl-2-methylprop-2-enamide?
The InChIKey is YRGCLADHMAKURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-20(22)19(2)3/h2,4-18H2,1,3H3,(H,21,22).
What are the key properties of N-hexadecyl-2-methylprop-2-enamide?
N-hexadecyl-2-methylprop-2-enamide has a molecular weight of 309.54 g/mol, XLogP of 6.16, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecyl-2-methylprop-2-enamide is sourced from PubChem (CID 22327743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).