N,N-dimethyloctadec-9-enamide

C20H39NO — CID 17568

IUPACN,N-dimethyloctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)N(C)C
InChIInChI=1S/C20H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3/h11-12H,4-10,13-19H2,1-3H3
InChIKeyGAXDEROCNMZYCS-UHFFFAOYSA-N
MW309.54 g/mol
LogP6.11
Rot. Bonds15

About N,N-dimethyloctadec-9-enamide

N,N-dimethyloctadec-9-enamide (PubChem CID 17568) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is N,N-dimethyloctadec-9-enamide.

Molecular Properties

Compound NameN,N-dimethyloctadec-9-enamide
PubChem CID17568
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC NameN,N-dimethyloctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)N(C)C
InChIInChI=1S/C20H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3/h11-12H,4-10,13-19H2,1-3H3
InChIKeyGAXDEROCNMZYCS-UHFFFAOYSA-N
XLogP6.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 56.11
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-dimethyloctadec-9-enamide?
The IUPAC name of N,N-dimethyloctadec-9-enamide (CID 17568) is N,N-dimethyloctadec-9-enamide.
What is the SMILES notation for N,N-dimethyloctadec-9-enamide?
The canonical SMILES for N,N-dimethyloctadec-9-enamide is CCCCCCCCC=CCCCCCCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyloctadec-9-enamide?
The InChIKey is GAXDEROCNMZYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3/h11-12H,4-10,13-19H2,1-3H3.
What are the key properties of N,N-dimethyloctadec-9-enamide?
N,N-dimethyloctadec-9-enamide has a molecular weight of 309.54 g/mol, XLogP of 6.11, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyloctadec-9-enamide is sourced from PubChem (CID 17568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).