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

C14H27NO — CID 134895925

IUPAC(E,3R)-N,N,3-trimethylundec-4-enamide
SMILESCCCCCC/C=C/[C@H](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+/t13-/m0/s1
InChIKeySLDAABPNPHCDJF-NHAQELONSA-N
MW225.38 g/mol
LogP3.63
Rot. Bonds8

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

(E,3R)-N,N,3-trimethylundec-4-enamide (PubChem CID 134895925) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (E,3R)-N,N,3-trimethylundec-4-enamide.

Molecular Properties

Compound Name(E,3R)-N,N,3-trimethylundec-4-enamide
PubChem CID134895925
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(E,3R)-N,N,3-trimethylundec-4-enamide
SMILESCCCCCC/C=C/[C@H](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+/t13-/m0/s1
InChIKeySLDAABPNPHCDJF-NHAQELONSA-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'}

Analyze (E,3R)-N,N,3-trimethylundec-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,3R)-N,N,3-trimethylundec-4-enamide?
The IUPAC name of (E,3R)-N,N,3-trimethylundec-4-enamide (CID 134895925) is (E,3R)-N,N,3-trimethylundec-4-enamide.
What is the SMILES notation for (E,3R)-N,N,3-trimethylundec-4-enamide?
The canonical SMILES for (E,3R)-N,N,3-trimethylundec-4-enamide is CCCCCC/C=C/[C@H](C)CC(=O)N(C)C.
What is the InChIKey of (E,3R)-N,N,3-trimethylundec-4-enamide?
The InChIKey is SLDAABPNPHCDJF-NHAQELONSA-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+/t13-/m0/s1.
What are the key properties of (E,3R)-N,N,3-trimethylundec-4-enamide?
(E,3R)-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,3R)-N,N,3-trimethylundec-4-enamide is sourced from PubChem (CID 134895925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).