2-methylidene-3-octyldodecanamide

C21H41NO — CID 87240147

IUPAC2-methylidene-3-octyldodecanamide
SMILESC=C(C(N)=O)C(CCCCCCCC)CCCCCCCCC
InChIInChI=1S/C21H41NO/c1-4-6-8-10-12-14-16-18-20(19(3)21(22)23)17-15-13-11-9-7-5-2/h20H,3-18H2,1-2H3,(H2,22,23)
InChIKeyBHPLNJQATQSKAE-UHFFFAOYSA-N
MW323.57 g/mol
LogP6.54
Rot. Bonds17

About 2-methylidene-3-octyldodecanamide

2-methylidene-3-octyldodecanamide (PubChem CID 87240147) has the molecular formula C21H41NO and a molecular weight of 323.57 g/mol. Its IUPAC name is 2-methylidene-3-octyldodecanamide.

Molecular Properties

Compound Name2-methylidene-3-octyldodecanamide
PubChem CID87240147
Molecular FormulaC21H41NO
Molecular Weight323.57 g/mol
Exact Mass323.32
IUPAC Name2-methylidene-3-octyldodecanamide
SMILESC=C(C(N)=O)C(CCCCCCCC)CCCCCCCCC
InChIInChI=1S/C21H41NO/c1-4-6-8-10-12-14-16-18-20(19(3)21(22)23)17-15-13-11-9-7-5-2/h20H,3-18H2,1-2H3,(H2,22,23)
InChIKeyBHPLNJQATQSKAE-UHFFFAOYSA-N
XLogP6.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.57
LogP ≤ 56.54
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

3-dodecyl-2-methylidenepentacosanoic acid
CID 87864826
2-methylidene-3-pentyloctanoic acid
CID 87510029
2-methylidene-3-propylnonadecanoic acid
CID 174308550
ethene;2-hexadecyloctadecanamide
CID 87836706
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
3-ethyl-2-methylideneundecanoic acid
CID 87290389
(2R)-2-[[[(2R)-2-carbamoyldecyl]disulfanyl]methyl]decanamide
CID 98093288
2,9-dibutyldecanediamide
CID 141080467

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-octyldodecanamide?
The IUPAC name of 2-methylidene-3-octyldodecanamide (CID 87240147) is 2-methylidene-3-octyldodecanamide.
What is the SMILES notation for 2-methylidene-3-octyldodecanamide?
The canonical SMILES for 2-methylidene-3-octyldodecanamide is C=C(C(N)=O)C(CCCCCCCC)CCCCCCCCC.
What is the InChIKey of 2-methylidene-3-octyldodecanamide?
The InChIKey is BHPLNJQATQSKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO/c1-4-6-8-10-12-14-16-18-20(19(3)21(22)23)17-15-13-11-9-7-5-2/h20H,3-18H2,1-2H3,(H2,22,23).
What are the key properties of 2-methylidene-3-octyldodecanamide?
2-methylidene-3-octyldodecanamide has a molecular weight of 323.57 g/mol, XLogP of 6.54, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-octyldodecanamide is sourced from PubChem (CID 87240147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).