2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide

C16H29N3O2 — CID 156866565

IUPAC2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide
SMILESC=C(C)/C=C\C(=C)OCCCN(C)CCN(C)CC(N)=O
InChIInChI=1S/C16H29N3O2/c1-14(2)7-8-15(3)21-12-6-9-18(4)10-11-19(5)13-16(17)20/h7-8H,1,3,6,9-13H2,2,4-5H3,(H2,17,20)/b8-7-
InChIKeyQPLGROQLJAGTBB-FPLPWBNLSA-N
MW295.43 g/mol
LogP1.39
Rot. Bonds12

About 2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide

2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide (PubChem CID 156866565) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide
PubChem CID156866565
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide
SMILESC=C(C)/C=C\C(=C)OCCCN(C)CCN(C)CC(N)=O
InChIInChI=1S/C16H29N3O2/c1-14(2)7-8-15(3)21-12-6-9-18(4)10-11-19(5)13-16(17)20/h7-8H,1,3,6,9-13H2,2,4-5H3,(H2,17,20)/b8-7-
InChIKeyQPLGROQLJAGTBB-FPLPWBNLSA-N
XLogP1.39
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.39
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-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide 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 2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide?
The IUPAC name of 2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide (CID 156866565) is 2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide?
The canonical SMILES for 2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide is C=C(C)/C=C\C(=C)OCCCN(C)CCN(C)CC(N)=O.
What is the InChIKey of 2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide?
The InChIKey is QPLGROQLJAGTBB-FPLPWBNLSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-14(2)7-8-15(3)21-12-6-9-18(4)10-11-19(5)13-16(17)20/h7-8H,1,3,6,9-13H2,2,4-5H3,(H2,17,20)/b8-7-.
What are the key properties of 2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide?
2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide has a molecular weight of 295.43 g/mol, XLogP of 1.39, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide is sourced from PubChem (CID 156866565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).