3-oxo-N-(2-oxocyclopentyl)dodecanamide

C17H29NO3 — CID 23396790

IUPAC3-oxo-N-(2-oxocyclopentyl)dodecanamide
SMILESCCCCCCCCCC(=O)CC(=O)NC1CCCC1=O
InChIInChI=1S/C17H29NO3/c1-2-3-4-5-6-7-8-10-14(19)13-17(21)18-15-11-9-12-16(15)20/h15H,2-13H2,1H3,(H,18,21)
InChIKeyCJBSFABNTFBYMW-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.32
Rot. Bonds11

About 3-oxo-N-(2-oxocyclopentyl)dodecanamide

3-oxo-N-(2-oxocyclopentyl)dodecanamide (PubChem CID 23396790) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-oxo-N-(2-oxocyclopentyl)dodecanamide.

Molecular Properties

Compound Name3-oxo-N-(2-oxocyclopentyl)dodecanamide
PubChem CID23396790
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-oxo-N-(2-oxocyclopentyl)dodecanamide
SMILESCCCCCCCCCC(=O)CC(=O)NC1CCCC1=O
InChIInChI=1S/C17H29NO3/c1-2-3-4-5-6-7-8-10-14(19)13-17(21)18-15-11-9-12-16(15)20/h15H,2-13H2,1H3,(H,18,21)
InChIKeyCJBSFABNTFBYMW-UHFFFAOYSA-N
XLogP3.32
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide
CID 87606219
3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide
CID 102493433
N-(2,4-dioxocyclohexyl)-2-[4-(2-oxotridecyl)phenyl]acetamide
CID 164975307
2-tridecanoylcyclopentan-1-one
CID 59066894
N-[(3S,5S)-5-(iodomethyl)-2-oxooxolan-3-yl]-3-oxotetradecanamide
CID 72701819
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
(Z)-N-[(1S)-2-oxocyclopentyl]pent-3-enamide
CID 138638911
4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide
CID 58413561
(Z)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexadec-11-enamide
CID 91886142
N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417
2-(2-oxoheptyl)cyclohexan-1-one
CID 68655143
heptacosane-10,12-dione
CID 14235516

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2-oxocyclopentyl)dodecanamide?
The IUPAC name of 3-oxo-N-(2-oxocyclopentyl)dodecanamide (CID 23396790) is 3-oxo-N-(2-oxocyclopentyl)dodecanamide.
What is the SMILES notation for 3-oxo-N-(2-oxocyclopentyl)dodecanamide?
The canonical SMILES for 3-oxo-N-(2-oxocyclopentyl)dodecanamide is CCCCCCCCCC(=O)CC(=O)NC1CCCC1=O.
What is the InChIKey of 3-oxo-N-(2-oxocyclopentyl)dodecanamide?
The InChIKey is CJBSFABNTFBYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-2-3-4-5-6-7-8-10-14(19)13-17(21)18-15-11-9-12-16(15)20/h15H,2-13H2,1H3,(H,18,21).
What are the key properties of 3-oxo-N-(2-oxocyclopentyl)dodecanamide?
3-oxo-N-(2-oxocyclopentyl)dodecanamide has a molecular weight of 295.42 g/mol, XLogP of 3.32, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-oxocyclopentyl)dodecanamide is sourced from PubChem (CID 23396790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).