ethane;2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]-N-methylacetamide

C18H35N3O2 — CID 153398530

IUPACethane;2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]-N-methylacetamide
SMILESC=C/C=C\C(=C)OCCCN(C)CCN(C)CC(=O)NC.CC
InChIInChI=1S/C16H29N3O2.C2H6/c1-6-7-9-15(2)21-13-8-10-18(4)11-12-19(5)14-16(20)17-3;1-2/h6-7,9H,1-2,8,10-14H2,3-5H3,(H,17,20);1-2H3/b9-7-;
InChIKeyAYKHEHBICZHUOW-VILQZVERSA-N
MW325.50 g/mol
LogP2.28
Rot. Bonds12

About ethane;2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]-N-methylacetamide

ethane;2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]-N-methylacetamide (PubChem CID 153398530) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is ethane;2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Nameethane;2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]-N-methylacetamide
PubChem CID153398530
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nameethane;2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]-N-methylacetamide
SMILESC=C/C=C\C(=C)OCCCN(C)CCN(C)CC(=O)NC.CC
InChIInChI=1S/C16H29N3O2.C2H6/c1-6-7-9-15(2)21-13-8-10-18(4)11-12-19(5)14-16(20)17-3;1-2/h6-7,9H,1-2,8,10-14H2,3-5H3,(H,17,20);1-2H3/b9-7-;
InChIKeyAYKHEHBICZHUOW-VILQZVERSA-N
XLogP2.28
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]-N-methylacetamide 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 ethane;2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]-N-methylacetamide?
The IUPAC name of ethane;2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]-N-methylacetamide (CID 153398530) is ethane;2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]-N-methylacetamide.
What is the SMILES notation for ethane;2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]-N-methylacetamide?
The canonical SMILES for ethane;2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]-N-methylacetamide is C=C/C=C\C(=C)OCCCN(C)CCN(C)CC(=O)NC.CC.
What is the InChIKey of ethane;2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]-N-methylacetamide?
The InChIKey is AYKHEHBICZHUOW-VILQZVERSA-N. The full InChI is InChI=1S/C16H29N3O2.C2H6/c1-6-7-9-15(2)21-13-8-10-18(4)11-12-19(5)14-16(20)17-3;1-2/h6-7,9H,1-2,8,10-14H2,3-5H3,(H,17,20);1-2H3/b9-7-;.
What are the key properties of ethane;2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]-N-methylacetamide?
ethane;2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]-N-methylacetamide has a molecular weight of 325.50 g/mol, XLogP of 2.28, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 153398530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).