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

C20H41N3O2 — CID 156866564

IUPACethane;2-[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.CC.CC
InChIInChI=1S/C16H29N3O2.2C2H6/c1-14(2)7-8-15(3)21-12-6-9-18(4)10-11-19(5)13-16(17)20;2*1-2/h7-8H,1,3,6,9-13H2,2,4-5H3,(H2,17,20);2*1-2H3/b8-7-;;
InChIKeyMGGWLNXRUNHVET-OTMFCZTRSA-N
MW355.57 g/mol
LogP3.44
Rot. Bonds12

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

ethane;2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide (PubChem CID 156866564) has the molecular formula C20H41N3O2 and a molecular weight of 355.57 g/mol. Its IUPAC name is ethane;2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide.

Molecular Properties

Compound Nameethane;2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide
PubChem CID156866564
Molecular FormulaC20H41N3O2
Molecular Weight355.57 g/mol
Exact Mass355.32
IUPAC Nameethane;2-[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.CC.CC
InChIInChI=1S/C16H29N3O2.2C2H6/c1-14(2)7-8-15(3)21-12-6-9-18(4)10-11-19(5)13-16(17)20;2*1-2/h7-8H,1,3,6,9-13H2,2,4-5H3,(H2,17,20);2*1-2H3/b8-7-;;
InChIKeyMGGWLNXRUNHVET-OTMFCZTRSA-N
XLogP3.44
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.57
LogP ≤ 53.44
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'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide?
The IUPAC name of ethane;2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide (CID 156866564) is ethane;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 ethane;2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide?
The canonical SMILES for ethane;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.CC.CC.
What is the InChIKey of ethane;2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide?
The InChIKey is MGGWLNXRUNHVET-OTMFCZTRSA-N. The full InChI is InChI=1S/C16H29N3O2.2C2H6/c1-14(2)7-8-15(3)21-12-6-9-18(4)10-11-19(5)13-16(17)20;2*1-2/h7-8H,1,3,6,9-13H2,2,4-5H3,(H2,17,20);2*1-2H3/b8-7-;;.
What are the key properties of ethane;2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide?
ethane;2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide has a molecular weight of 355.57 g/mol, XLogP of 3.44, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]acetamide is sourced from PubChem (CID 156866564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).