N-prop-2-enylhexadecanamide

C19H37NO — CID 10780234

IUPACN-prop-2-enylhexadecanamide
SMILESC=CCNC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C19H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)20-18-4-2/h4H,2-3,5-18H2,1H3,(H,20,21)
InChIKeyBZMVRGBTQHGPIW-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.77
Rot. Bonds16

About N-prop-2-enylhexadecanamide

N-prop-2-enylhexadecanamide (PubChem CID 10780234) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N-prop-2-enylhexadecanamide.

Molecular Properties

Compound NameN-prop-2-enylhexadecanamide
PubChem CID10780234
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN-prop-2-enylhexadecanamide
SMILESC=CCNC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C19H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)20-18-4-2/h4H,2-3,5-18H2,1H3,(H,20,21)
InChIKeyBZMVRGBTQHGPIW-UHFFFAOYSA-N
XLogP5.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylhexadecanamide?
The IUPAC name of N-prop-2-enylhexadecanamide (CID 10780234) is N-prop-2-enylhexadecanamide.
What is the SMILES notation for N-prop-2-enylhexadecanamide?
The canonical SMILES for N-prop-2-enylhexadecanamide is C=CCNC(=O)CCCCCCCCCCCCCCC.
What is the InChIKey of N-prop-2-enylhexadecanamide?
The InChIKey is BZMVRGBTQHGPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)20-18-4-2/h4H,2-3,5-18H2,1H3,(H,20,21).
What are the key properties of N-prop-2-enylhexadecanamide?
N-prop-2-enylhexadecanamide has a molecular weight of 295.51 g/mol, XLogP of 5.77, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylhexadecanamide is sourced from PubChem (CID 10780234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).