N-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]acetamide

C11H17NO2 — CID 143185233

IUPACN-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]acetamide
SMILESC=C(C)/C=C\C(=C)OCCNC(C)=O
InChIInChI=1S/C11H17NO2/c1-9(2)5-6-10(3)14-8-7-12-11(4)13/h5-6H,1,3,7-8H2,2,4H3,(H,12,13)/b6-5-
InChIKeyYAJXDTGVBMVFJZ-WAYWQWQTSA-N
MW195.26 g/mol
LogP1.79
Rot. Bonds6

About N-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]acetamide

N-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]acetamide (PubChem CID 143185233) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]acetamide
PubChem CID143185233
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]acetamide
SMILESC=C(C)/C=C\C(=C)OCCNC(C)=O
InChIInChI=1S/C11H17NO2/c1-9(2)5-6-10(3)14-8-7-12-11(4)13/h5-6H,1,3,7-8H2,2,4H3,(H,12,13)/b6-5-
InChIKeyYAJXDTGVBMVFJZ-WAYWQWQTSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

2-[(1E,3E)-2-ethyl-4-fluorohexa-1,3,5-trienoxy]-N-[(3Z,5E)-5-methoxyhepta-3,5-dienyl]acetamide
CID 134333490
Bisacetamidomethylpyran
CID 129648035
2-[(2E,4E,6Z)-5-fluoro-6-methylocta-2,4,6-trien-3-yl]oxy-N-methylacetamide
CID 142528171
N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide
CID 176700476
bromozinc(1+);N-butyl-2-(2,5-dimethylbenzene-4-id-1-yl)oxyacetamide
CID 57775679
bromozinc(1+);2-(2,5-dimethylbenzene-4-id-1-yl)oxy-N-ethylacetamide
CID 57775701
N-[(2E,4Z)-3-methoxy-4-methylhepta-2,4-dienyl]acetamide
CID 88971136
N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]acetamide
CID 89321981
propyl N-[2-(2-methylpenta-1,3-dien-3-yloxy)ethyl]carbamate
CID 89603953
2-amino-N-[1-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)oxypropan-2-yl]propanamide
CID 90816529
N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide
CID 91252463
tert-butyl N-[2-[(3Z)-hexa-1,3-dien-2-yl]oxyethyl]carbamate
CID 126654201

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]acetamide?
The IUPAC name of N-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]acetamide (CID 143185233) is N-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]acetamide.
What is the SMILES notation for N-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]acetamide?
The canonical SMILES for N-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]acetamide is C=C(C)/C=C\C(=C)OCCNC(C)=O.
What is the InChIKey of N-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]acetamide?
The InChIKey is YAJXDTGVBMVFJZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(2)5-6-10(3)14-8-7-12-11(4)13/h5-6H,1,3,7-8H2,2,4H3,(H,12,13)/b6-5-.
What are the key properties of N-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]acetamide?
N-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]acetamide has a molecular weight of 195.26 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]acetamide is sourced from PubChem (CID 143185233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).