(20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine;(11Z,14Z)-N-methoxy-N-methylicosa-11,14-dienamide

C53H102N2O2 — CID 161442718

About (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine;(11Z,14Z)-N-methoxy-N-methylicosa-11,14-dienamide

(20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine;(11Z,14Z)-N-methoxy-N-methylicosa-11,14-dienamide (PubChem CID 161442718) has the molecular formula C53H102N2O2 and a molecular weight of 799.41 g/mol. Its IUPAC name is (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine;(11Z,14Z)-N-methoxy-N-methylicosa-11,14-dienamide.

Molecular Properties

• Compound Name: (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine;(11Z,14Z)-N-methoxy-N-methylicosa-11,14-dienamide
• PubChem CID: 161442718
• Molecular Formula: C53H102N2O2
• Molecular Weight: 799.41 g/mol
• Exact Mass: 798.79
• IUPAC Name: (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine;(11Z,14Z)-N-methoxy-N-methylicosa-11,14-dienamide
• SMILES: CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)N(C)OC.CCCCC/C=C\C/C=C\CCCCCCCCCC(CCCCCCCCC)N(C)C
• InChI: InChI=1S/C31H61N.C22H41NO2/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-31(32(3)4)29-27-25-23-12-10-8-6-2;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(2)25-3/h13-14,16-17,31H,5-12,15,18-30H2,1-4H3;8-9,11-12H,4-7,10,13-21H2,1-3H3/b14-13-,17-16-;9-8-,12-11-
• InChIKey: VZMLTIBLUMDIQJ-MOKQBXCXSA-N
• XLogP: 17.25
• TPSA: 32.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 42
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.41
LogP ≤ 5	17.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine;(11Z,14Z)-N-methoxy-N-methylicosa-11,14-dienamide?

The IUPAC name of (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine;(11Z,14Z)-N-methoxy-N-methylicosa-11,14-dienamide (CID 161442718) is (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine;(11Z,14Z)-N-methoxy-N-methylicosa-11,14-dienamide.

What is the SMILES notation for (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine;(11Z,14Z)-N-methoxy-N-methylicosa-11,14-dienamide?

The canonical SMILES for (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine;(11Z,14Z)-N-methoxy-N-methylicosa-11,14-dienamide is CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)N(C)OC.CCCCC/C=C\C/C=C\CCCCCCCCCC(CCCCCCCCC)N(C)C.

What is the InChIKey of (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine;(11Z,14Z)-N-methoxy-N-methylicosa-11,14-dienamide?

The InChIKey is VZMLTIBLUMDIQJ-MOKQBXCXSA-N. The full InChI is InChI=1S/C31H61N.C22H41NO2/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-31(32(3)4)29-27-25-23-12-10-8-6-2;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(2)25-3/h13-14,16-17,31H,5-12,15,18-30H2,1-4H3;8-9,11-12H,4-7,10,13-21H2,1-3H3/b14-13-,17-16-;9-8-,12-11-.

What are the key properties of (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine;(11Z,14Z)-N-methoxy-N-methylicosa-11,14-dienamide?

(20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine;(11Z,14Z)-N-methoxy-N-methylicosa-11,14-dienamide has a molecular weight of 799.41 g/mol, XLogP of 17.25, 42 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine;(11Z,14Z)-N-methoxy-N-methylicosa-11,14-dienamide is sourced from PubChem (CID 161442718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).