N-[(4Z)-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienyl]-N-methylacetamide

C13H21NO2 — CID 153340109

IUPACN-[(4Z)-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienyl]-N-methylacetamide
SMILESC=C(/C=C\C(=C)C(C)CN(C)C(C)=O)OC
InChIInChI=1S/C13H21NO2/c1-10(7-8-12(3)16-6)11(2)9-14(5)13(4)15/h7-8,11H,1,3,9H2,2,4-6H3/b8-7-
InChIKeyAOKRHHOSSIJGGE-FPLPWBNLSA-N
MW223.32 g/mol
LogP2.37
Rot. Bonds6

About N-[(4Z)-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienyl]-N-methylacetamide

N-[(4Z)-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienyl]-N-methylacetamide (PubChem CID 153340109) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(4Z)-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(4Z)-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienyl]-N-methylacetamide
PubChem CID153340109
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[(4Z)-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienyl]-N-methylacetamide
SMILESC=C(/C=C\C(=C)C(C)CN(C)C(C)=O)OC
InChIInChI=1S/C13H21NO2/c1-10(7-8-12(3)16-6)11(2)9-14(5)13(4)15/h7-8,11H,1,3,9H2,2,4-6H3/b8-7-
InChIKeyAOKRHHOSSIJGGE-FPLPWBNLSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(4E)-6-methoxy-N,N-dimethylhepta-4,6-dienamide
CID 13483522
1-[(7Z)-10-methoxy-2-methyl-3,4,6,11a-tetrahydro-1H-2,5-benzodiazonin-5-yl]ethanone
CID 101636471
6-methoxy-1,3-dimethyl-3,8-dihydro-2H-azonin-9-one
CID 91512361
ethane;(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide
CID 142986621
ethane;N-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide
CID 143085945
3-methoxy-N,N-dimethylcyclohexa-2,4-diene-1-carboxamide
CID 143498323
1-[(1R)-7-methoxy-3-azabicyclo[4.4.1]undeca-6(11),7,9-trien-3-yl]-2-methylpropan-1-one
CID 153594719
N-formyl-N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]formamide
CID 163986522
lithium N,N-diethyl-4-methoxy-2-propan-2-ylbenzene-6-ide-1-carboxamide
CID 10264339
1-[(7E)-10-methoxy-2-methyl-3,4,6,11a-tetrahydro-1H-2,5-benzodiazonin-5-yl]ethanone
CID 10445427
(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide
CID 142986622
N-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide
CID 143085946

Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienyl]-N-methylacetamide?
The IUPAC name of N-[(4Z)-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienyl]-N-methylacetamide (CID 153340109) is N-[(4Z)-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienyl]-N-methylacetamide.
What is the SMILES notation for N-[(4Z)-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienyl]-N-methylacetamide?
The canonical SMILES for N-[(4Z)-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienyl]-N-methylacetamide is C=C(/C=C\C(=C)C(C)CN(C)C(C)=O)OC.
What is the InChIKey of N-[(4Z)-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienyl]-N-methylacetamide?
The InChIKey is AOKRHHOSSIJGGE-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(7-8-12(3)16-6)11(2)9-14(5)13(4)15/h7-8,11H,1,3,9H2,2,4-6H3/b8-7-.
What are the key properties of N-[(4Z)-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienyl]-N-methylacetamide?
N-[(4Z)-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienyl]-N-methylacetamide has a molecular weight of 223.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienyl]-N-methylacetamide is sourced from PubChem (CID 153340109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).