2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]acetamide

C15H27N3O2 — CID 142389512

IUPAC2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]acetamide
SMILESC=C/C=C\C(=C)OCCCN(C)CCN(C)CC(N)=O
InChIInChI=1S/C15H27N3O2/c1-5-6-8-14(2)20-12-7-9-17(3)10-11-18(4)13-15(16)19/h5-6,8H,1-2,7,9-13H2,3-4H3,(H2,16,19)/b8-6-
InChIKeySLPYZUJYRFTSCD-VURMDHGXSA-N
MW281.40 g/mol
LogP1.00
Rot. Bonds12

About 2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]acetamide

2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]acetamide (PubChem CID 142389512) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]acetamide
PubChem CID142389512
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]acetamide
SMILESC=C/C=C\C(=C)OCCCN(C)CCN(C)CC(N)=O
InChIInChI=1S/C15H27N3O2/c1-5-6-8-14(2)20-12-7-9-17(3)10-11-18(4)13-15(16)19/h5-6,8H,1-2,7,9-13H2,3-4H3,(H2,16,19)/b8-6-
InChIKeySLPYZUJYRFTSCD-VURMDHGXSA-N
XLogP1.00
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.00
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 2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]-N-methylacetamide
CID 142391052
ethane;2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]-N-methylacetamide
CID 153398530
ethane;2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide
CID 156866564
2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide
CID 156866565

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]acetamide?
The IUPAC name of 2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]acetamide (CID 142389512) is 2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]acetamide.
What is the SMILES notation for 2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]acetamide?
The canonical SMILES for 2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]acetamide is C=C/C=C\C(=C)OCCCN(C)CCN(C)CC(N)=O.
What is the InChIKey of 2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]acetamide?
The InChIKey is SLPYZUJYRFTSCD-VURMDHGXSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-6-8-14(2)20-12-7-9-17(3)10-11-18(4)13-15(16)19/h5-6,8H,1-2,7,9-13H2,3-4H3,(H2,16,19)/b8-6-.
What are the key properties of 2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]acetamide?
2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]acetamide has a molecular weight of 281.40 g/mol, XLogP of 1.00, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl-methylamino]acetamide is sourced from PubChem (CID 142389512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).