N-[2-[[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylacetamide

C13H22N2O2 — CID 142161971

IUPACN-[2-[[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylacetamide
SMILESC=C(/C=C\C(=C)N(C)CCN(C)C(C)=O)OC
InChIInChI=1S/C13H22N2O2/c1-11(7-8-12(2)17-6)14(4)9-10-15(5)13(3)16/h7-8H,1-2,9-10H2,3-6H3/b8-7-
InChIKeyZGWFGXLHKFSNDN-FPLPWBNLSA-N
MW238.33 g/mol
LogP1.63
Rot. Bonds7

About N-[2-[[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylacetamide

N-[2-[[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylacetamide (PubChem CID 142161971) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[2-[[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylacetamide
PubChem CID142161971
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[2-[[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylacetamide
SMILESC=C(/C=C\C(=C)N(C)CCN(C)C(C)=O)OC
InChIInChI=1S/C13H22N2O2/c1-11(7-8-12(2)17-6)14(4)9-10-15(5)13(3)16/h7-8H,1-2,9-10H2,3-6H3/b8-7-
InChIKeyZGWFGXLHKFSNDN-FPLPWBNLSA-N
XLogP1.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3E)-5-(fluoromethoxy)hexa-1,3,5-trien-3-yl]-N-methylacetamide
CID 171647226
1-[4-(5-Methoxyhexa-1,3,5-trien-3-yl)piperazin-1-yl]ethanone
CID 123284533
1-[4-(4-Methoxypenta-2,4-dien-2-yl)piperazin-1-yl]ethanone
CID 123409071
ethane;1-[4-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanone
CID 142506753
1-[4-(5-Methoxycyclohepta-1,4,6-trien-1-yl)piperazin-1-yl]ethanone
CID 142928985
N'-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 143767738
ethane;N-[2-[[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylacetamide
CID 144090088
N-[(2Z,4Z)-2-amino-6-methoxyhepta-2,4,6-trienyl]propanamide
CID 146416629
N-[(2Z,4Z)-2-amino-3-methoxyhexa-2,4-dienyl]acetamide
CID 163770520
N-[2-[[(3E)-5-chloro-4-methoxyhexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylacetamide
CID 163949957
ethane;N-[(3E)-5-(fluoromethoxy)hexa-1,3,5-trien-3-yl]-N-methylacetamide
CID 171647225
3-Amino-1-ethyl-4-methoxy-6-methylpyridin-2-one
CID 20667463

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylacetamide?
The IUPAC name of N-[2-[[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylacetamide (CID 142161971) is N-[2-[[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-[[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylacetamide is C=C(/C=C\C(=C)N(C)CCN(C)C(C)=O)OC.
What is the InChIKey of N-[2-[[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylacetamide?
The InChIKey is ZGWFGXLHKFSNDN-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11(7-8-12(2)17-6)14(4)9-10-15(5)13(3)16/h7-8H,1-2,9-10H2,3-6H3/b8-7-.
What are the key properties of N-[2-[[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylacetamide?
N-[2-[[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylacetamide has a molecular weight of 238.33 g/mol, XLogP of 1.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylacetamide is sourced from PubChem (CID 142161971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).