(E)-N,N,3-trimethylundec-4-enamide

C14H27NO — CID 170849544

IUPAC(E)-N,N,3-trimethylundec-4-enamide
SMILESCCCCCC/C=C/C(C)CC(=O)N(C)C
InChIInChI=1S/C14H27NO/c1-5-6-7-8-9-10-11-13(2)12-14(16)15(3)4/h10-11,13H,5-9,12H2,1-4H3/b11-10+
InChIKeySLDAABPNPHCDJF-ZHACJKMWSA-N
MW225.38 g/mol
LogP3.63
Rot. Bonds8

About (E)-N,N,3-trimethylundec-4-enamide

(E)-N,N,3-trimethylundec-4-enamide (PubChem CID 170849544) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (E)-N,N,3-trimethylundec-4-enamide.

Molecular Properties

Compound Name(E)-N,N,3-trimethylundec-4-enamide
PubChem CID170849544
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(E)-N,N,3-trimethylundec-4-enamide
SMILESCCCCCC/C=C/C(C)CC(=O)N(C)C
InChIInChI=1S/C14H27NO/c1-5-6-7-8-9-10-11-13(2)12-14(16)15(3)4/h10-11,13H,5-9,12H2,1-4H3/b11-10+
InChIKeySLDAABPNPHCDJF-ZHACJKMWSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.63
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 (E)-N,N,3-trimethylundec-4-enamide?
The IUPAC name of (E)-N,N,3-trimethylundec-4-enamide (CID 170849544) is (E)-N,N,3-trimethylundec-4-enamide.
What is the SMILES notation for (E)-N,N,3-trimethylundec-4-enamide?
The canonical SMILES for (E)-N,N,3-trimethylundec-4-enamide is CCCCCC/C=C/C(C)CC(=O)N(C)C.
What is the InChIKey of (E)-N,N,3-trimethylundec-4-enamide?
The InChIKey is SLDAABPNPHCDJF-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-6-7-8-9-10-11-13(2)12-14(16)15(3)4/h10-11,13H,5-9,12H2,1-4H3/b11-10+.
What are the key properties of (E)-N,N,3-trimethylundec-4-enamide?
(E)-N,N,3-trimethylundec-4-enamide has a molecular weight of 225.38 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,3-trimethylundec-4-enamide is sourced from PubChem (CID 170849544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).