N,N-diethyl-3-prop-1-enyloctanamide

C15H29NO — CID 71323834

IUPACN,N-diethyl-3-prop-1-enyloctanamide
SMILESCC=CC(CCCCC)CC(=O)N(CC)CC
InChIInChI=1S/C15H29NO/c1-5-9-10-12-14(11-6-2)13-15(17)16(7-3)8-4/h6,11,14H,5,7-10,12-13H2,1-4H3
InChIKeyJIEVGUBGDXQMSK-UHFFFAOYSA-N
MW239.40 g/mol
LogP4.02
Rot. Bonds9

About N,N-diethyl-3-prop-1-enyloctanamide

N,N-diethyl-3-prop-1-enyloctanamide (PubChem CID 71323834) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N,N-diethyl-3-prop-1-enyloctanamide.

Molecular Properties

Compound NameN,N-diethyl-3-prop-1-enyloctanamide
PubChem CID71323834
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN,N-diethyl-3-prop-1-enyloctanamide
SMILESCC=CC(CCCCC)CC(=O)N(CC)CC
InChIInChI=1S/C15H29NO/c1-5-9-10-12-14(11-6-2)13-15(17)16(7-3)8-4/h6,11,14H,5,7-10,12-13H2,1-4H3
InChIKeyJIEVGUBGDXQMSK-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-prop-1-enyloctanamide?
The IUPAC name of N,N-diethyl-3-prop-1-enyloctanamide (CID 71323834) is N,N-diethyl-3-prop-1-enyloctanamide.
What is the SMILES notation for N,N-diethyl-3-prop-1-enyloctanamide?
The canonical SMILES for N,N-diethyl-3-prop-1-enyloctanamide is CC=CC(CCCCC)CC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-3-prop-1-enyloctanamide?
The InChIKey is JIEVGUBGDXQMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-9-10-12-14(11-6-2)13-15(17)16(7-3)8-4/h6,11,14H,5,7-10,12-13H2,1-4H3.
What are the key properties of N,N-diethyl-3-prop-1-enyloctanamide?
N,N-diethyl-3-prop-1-enyloctanamide has a molecular weight of 239.40 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-prop-1-enyloctanamide is sourced from PubChem (CID 71323834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).