2-(2-dodecyl-3-methylidenecyclopropyl)acetamide

C18H33NO — CID 57140236

IUPAC2-(2-dodecyl-3-methylidenecyclopropyl)acetamide
SMILESC=C1C(CCCCCCCCCCCC)C1CC(N)=O
InChIInChI=1S/C18H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-15(2)17(16)14-18(19)20/h16-17H,2-14H2,1H3,(H2,19,20)
InChIKeyNKLPYYGFIKBRDD-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.97
Rot. Bonds13

About 2-(2-dodecyl-3-methylidenecyclopropyl)acetamide

2-(2-dodecyl-3-methylidenecyclopropyl)acetamide (PubChem CID 57140236) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-(2-dodecyl-3-methylidenecyclopropyl)acetamide.

Molecular Properties

Compound Name2-(2-dodecyl-3-methylidenecyclopropyl)acetamide
PubChem CID57140236
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name2-(2-dodecyl-3-methylidenecyclopropyl)acetamide
SMILESC=C1C(CCCCCCCCCCCC)C1CC(N)=O
InChIInChI=1S/C18H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-15(2)17(16)14-18(19)20/h16-17H,2-14H2,1H3,(H2,19,20)
InChIKeyNKLPYYGFIKBRDD-UHFFFAOYSA-N
XLogP4.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.97
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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Related Compounds

tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
2,5-di(docosyl)-7-oxabicyclo[4.1.0]hept-3-ene-3,4-dicarboxylic acid
CID 88754204
10-[(1R,2S)-2-hexylcyclopropyl]decanamide
CID 90478669
octadecanamide;hydrochloride
CID 87891779
octadecanamide;zinc
CID 87169213
butane;octanamide
CID 87511414
1-heptyl-2-methylidenecyclopropane
CID 173435427
dodecane;bis(2-methylprop-2-enamide)
CID 87149534
ethanol;tridecanamide
CID 174935457
CID 87899207
CID 87899207

Frequently Asked Questions

What is the IUPAC name of 2-(2-dodecyl-3-methylidenecyclopropyl)acetamide?
The IUPAC name of 2-(2-dodecyl-3-methylidenecyclopropyl)acetamide (CID 57140236) is 2-(2-dodecyl-3-methylidenecyclopropyl)acetamide.
What is the SMILES notation for 2-(2-dodecyl-3-methylidenecyclopropyl)acetamide?
The canonical SMILES for 2-(2-dodecyl-3-methylidenecyclopropyl)acetamide is C=C1C(CCCCCCCCCCCC)C1CC(N)=O.
What is the InChIKey of 2-(2-dodecyl-3-methylidenecyclopropyl)acetamide?
The InChIKey is NKLPYYGFIKBRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-15(2)17(16)14-18(19)20/h16-17H,2-14H2,1H3,(H2,19,20).
What are the key properties of 2-(2-dodecyl-3-methylidenecyclopropyl)acetamide?
2-(2-dodecyl-3-methylidenecyclopropyl)acetamide has a molecular weight of 279.47 g/mol, XLogP of 4.97, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dodecyl-3-methylidenecyclopropyl)acetamide is sourced from PubChem (CID 57140236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).