11-(propanoylamino)undecanamide

C14H28N2O2 — CID 89244012

IUPAC11-(propanoylamino)undecanamide
SMILESCCC(=O)NCCCCCCCCCCC(N)=O
InChIInChI=1S/C14H28N2O2/c1-2-14(18)16-12-10-8-6-4-3-5-7-9-11-13(15)17/h2-12H2,1H3,(H2,15,17)(H,16,18)
InChIKeyBULFCQCDCQYBNS-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.51
Rot. Bonds12

About 11-(propanoylamino)undecanamide

11-(propanoylamino)undecanamide (PubChem CID 89244012) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 11-(propanoylamino)undecanamide.

Molecular Properties

Compound Name11-(propanoylamino)undecanamide
PubChem CID89244012
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name11-(propanoylamino)undecanamide
SMILESCCC(=O)NCCCCCCCCCCC(N)=O
InChIInChI=1S/C14H28N2O2/c1-2-14(18)16-12-10-8-6-4-3-5-7-9-11-13(15)17/h2-12H2,1H3,(H2,15,17)(H,16,18)
InChIKeyBULFCQCDCQYBNS-UHFFFAOYSA-N
XLogP2.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-docosyldocosanediamide
CID 91257562
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
N'-octylhexanediamide
CID 18377759
22-(docosanoylamino)docosanamide
CID 90926402
N-(12-oxotridecyl)propanamide
CID 171540592
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
N'-heptylundecanediamide;propanoic acid
CID 175230905
ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid
CID 156732103
ethane;N-pentyl-6-(propanoylamino)hexanamide
CID 166555695
N'-dodecylbutanediamide
CID 19973702
ethane;N-methyl-6-(propanoylamino)hexanamide
CID 145098119
N'-icosylbutanediamide
CID 175408923

Frequently Asked Questions

What is the IUPAC name of 11-(propanoylamino)undecanamide?
The IUPAC name of 11-(propanoylamino)undecanamide (CID 89244012) is 11-(propanoylamino)undecanamide.
What is the SMILES notation for 11-(propanoylamino)undecanamide?
The canonical SMILES for 11-(propanoylamino)undecanamide is CCC(=O)NCCCCCCCCCCC(N)=O.
What is the InChIKey of 11-(propanoylamino)undecanamide?
The InChIKey is BULFCQCDCQYBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-14(18)16-12-10-8-6-4-3-5-7-9-11-13(15)17/h2-12H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 11-(propanoylamino)undecanamide?
11-(propanoylamino)undecanamide has a molecular weight of 256.39 g/mol, XLogP of 2.51, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(propanoylamino)undecanamide is sourced from PubChem (CID 89244012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).