12-oxododecanamide

C12H23NO2 — CID 54019408

IUPAC12-oxododecanamide
SMILESNC(=O)CCCCCCCCCCC=O
InChIInChI=1S/C12H23NO2/c13-12(15)10-8-6-4-2-1-3-5-7-9-11-14/h11H,1-10H2,(H2,13,15)
InChIKeyYEAYEJKMPKVEGQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.57
Rot. Bonds11

About 12-oxododecanamide

12-oxododecanamide (PubChem CID 54019408) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 12-oxododecanamide.

Molecular Properties

Compound Name12-oxododecanamide
PubChem CID54019408
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name12-oxododecanamide
SMILESNC(=O)CCCCCCCCCCC=O
InChIInChI=1S/C12H23NO2/c13-12(15)10-8-6-4-2-1-3-5-7-9-11-14/h11H,1-10H2,(H2,13,15)
InChIKeyYEAYEJKMPKVEGQ-UHFFFAOYSA-N
XLogP2.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

17-oxoheptadecanamide
CID 54112129
6-oxohexanamide;2,2,2-trifluoroacetic acid
CID 175908161
hentetraconta-10,31-dienediamide
CID 175604494
dopentaconta-13,39-dienediamide
CID 154089546
(E)-hexadec-8-enediamide
CID 21140246
dodecanediamide;nonanediamide
CID 175017820
docosanediamide;hexacosanediamide
CID 129179979
pentadecanediamide
CID 87429217
nonatetracontanediamide
CID 162734608
icosa-8,12-dienediamide
CID 154110661
2-oxododecanedial
CID 175394430
11-oxoundecanoyl chloride
CID 56995388

Frequently Asked Questions

What is the IUPAC name of 12-oxododecanamide?
The IUPAC name of 12-oxododecanamide (CID 54019408) is 12-oxododecanamide.
What is the SMILES notation for 12-oxododecanamide?
The canonical SMILES for 12-oxododecanamide is NC(=O)CCCCCCCCCCC=O.
What is the InChIKey of 12-oxododecanamide?
The InChIKey is YEAYEJKMPKVEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c13-12(15)10-8-6-4-2-1-3-5-7-9-11-14/h11H,1-10H2,(H2,13,15).
What are the key properties of 12-oxododecanamide?
12-oxododecanamide has a molecular weight of 213.32 g/mol, XLogP of 2.57, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-oxododecanamide is sourced from PubChem (CID 54019408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).