N-prop-2-enyloctanamide

C11H21NO — CID 4071942

IUPACN-prop-2-enyloctanamide
SMILESC=CCNC(=O)CCCCCCC
InChIInChI=1S/C11H21NO/c1-3-5-6-7-8-9-11(13)12-10-4-2/h4H,2-3,5-10H2,1H3,(H,12,13)
InChIKeyZOTATBULMXLRDK-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.65
Rot. Bonds8

About N-prop-2-enyloctanamide

N-prop-2-enyloctanamide (PubChem CID 4071942) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-prop-2-enyloctanamide.

Molecular Properties

Compound NameN-prop-2-enyloctanamide
PubChem CID4071942
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-prop-2-enyloctanamide
SMILESC=CCNC(=O)CCCCCCC
InChIInChI=1S/C11H21NO/c1-3-5-6-7-8-9-11(13)12-10-4-2/h4H,2-3,5-10H2,1H3,(H,12,13)
InChIKeyZOTATBULMXLRDK-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.65
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

(Z)-N-prop-2-enyloctadec-9-enamide
CID 10805746
1-(octadecanoylamino)-3-prop-2-enylthiourea
CID 11463658
N-ethylhexadecanamide
CID 18377756
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-ethyltridecanamide
CID 23297417
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
N,N'-bis[(E)-non-2-enyl]hexanediamide
CID 101279958
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-dodecylhexanamide
CID 3362981

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyloctanamide?
The IUPAC name of N-prop-2-enyloctanamide (CID 4071942) is N-prop-2-enyloctanamide.
What is the SMILES notation for N-prop-2-enyloctanamide?
The canonical SMILES for N-prop-2-enyloctanamide is C=CCNC(=O)CCCCCCC.
What is the InChIKey of N-prop-2-enyloctanamide?
The InChIKey is ZOTATBULMXLRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-5-6-7-8-9-11(13)12-10-4-2/h4H,2-3,5-10H2,1H3,(H,12,13).
What are the key properties of N-prop-2-enyloctanamide?
N-prop-2-enyloctanamide has a molecular weight of 183.29 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyloctanamide is sourced from PubChem (CID 4071942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).