N-[2-(2-methoxyethylamino)ethyl]-7-methyl-3-(2-methylprop-2-enyl)-4-prop-1-en-2-ylocta-4,6-dienamide

C21H36N2O2 — CID 123585154

IUPACN-[2-(2-methoxyethylamino)ethyl]-7-methyl-3-(2-methylprop-2-enyl)-4-prop-1-en-2-ylocta-4,6-dienamide
SMILESC=C(C)CC(CC(=O)NCCNCCOC)C(=CC=C(C)C)C(=C)C
InChIInChI=1S/C21H36N2O2/c1-16(2)8-9-20(18(5)6)19(14-17(3)4)15-21(24)23-11-10-22-12-13-25-7/h8-9,19,22H,3,5,10-15H2,1-2,4,6-7H3,(H,23,24)
InChIKeyUSYHCFHCZSVQEI-UHFFFAOYSA-N
MW348.53 g/mol
LogP3.78
Rot. Bonds13

About N-[2-(2-methoxyethylamino)ethyl]-7-methyl-3-(2-methylprop-2-enyl)-4-prop-1-en-2-ylocta-4,6-dienamide

N-[2-(2-methoxyethylamino)ethyl]-7-methyl-3-(2-methylprop-2-enyl)-4-prop-1-en-2-ylocta-4,6-dienamide (PubChem CID 123585154) has the molecular formula C21H36N2O2 and a molecular weight of 348.53 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-7-methyl-3-(2-methylprop-2-enyl)-4-prop-1-en-2-ylocta-4,6-dienamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-7-methyl-3-(2-methylprop-2-enyl)-4-prop-1-en-2-ylocta-4,6-dienamide
PubChem CID123585154
Molecular FormulaC21H36N2O2
Molecular Weight348.53 g/mol
Exact Mass348.28
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-7-methyl-3-(2-methylprop-2-enyl)-4-prop-1-en-2-ylocta-4,6-dienamide
SMILESC=C(C)CC(CC(=O)NCCNCCOC)C(=CC=C(C)C)C(=C)C
InChIInChI=1S/C21H36N2O2/c1-16(2)8-9-20(18(5)6)19(14-17(3)4)15-21(24)23-11-10-22-12-13-25-7/h8-9,19,22H,3,5,10-15H2,1-2,4,6-7H3,(H,23,24)
InChIKeyUSYHCFHCZSVQEI-UHFFFAOYSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[2-(2-methoxyethylamino)ethyl]-7-methyl-3-(2-methylprop-2-enyl)-4-prop-1-en-2-ylocta-4,6-dienamide 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 N-[2-(2-methoxyethylamino)ethyl]-7-methyl-3-(2-methylprop-2-enyl)-4-prop-1-en-2-ylocta-4,6-dienamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-7-methyl-3-(2-methylprop-2-enyl)-4-prop-1-en-2-ylocta-4,6-dienamide (CID 123585154) is N-[2-(2-methoxyethylamino)ethyl]-7-methyl-3-(2-methylprop-2-enyl)-4-prop-1-en-2-ylocta-4,6-dienamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-7-methyl-3-(2-methylprop-2-enyl)-4-prop-1-en-2-ylocta-4,6-dienamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-7-methyl-3-(2-methylprop-2-enyl)-4-prop-1-en-2-ylocta-4,6-dienamide is C=C(C)CC(CC(=O)NCCNCCOC)C(=CC=C(C)C)C(=C)C.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-7-methyl-3-(2-methylprop-2-enyl)-4-prop-1-en-2-ylocta-4,6-dienamide?
The InChIKey is USYHCFHCZSVQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O2/c1-16(2)8-9-20(18(5)6)19(14-17(3)4)15-21(24)23-11-10-22-12-13-25-7/h8-9,19,22H,3,5,10-15H2,1-2,4,6-7H3,(H,23,24).
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-7-methyl-3-(2-methylprop-2-enyl)-4-prop-1-en-2-ylocta-4,6-dienamide?
N-[2-(2-methoxyethylamino)ethyl]-7-methyl-3-(2-methylprop-2-enyl)-4-prop-1-en-2-ylocta-4,6-dienamide has a molecular weight of 348.53 g/mol, XLogP of 3.78, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-7-methyl-3-(2-methylprop-2-enyl)-4-prop-1-en-2-ylocta-4,6-dienamide is sourced from PubChem (CID 123585154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).