N-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide

C13H21NO2 — CID 123670587

IUPACN-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide
SMILESC=C(C=C(C)C(=CC)CCNC(C)=O)OC
InChIInChI=1S/C13H21NO2/c1-6-13(7-8-14-12(4)15)10(2)9-11(3)16-5/h6,9H,3,7-8H2,1-2,4-5H3,(H,14,15)
InChIKeyFLPBNRBDRFQRHT-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.57
Rot. Bonds6

About N-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide

N-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide (PubChem CID 123670587) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide.

Molecular Properties

Compound NameN-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide
PubChem CID123670587
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide
SMILESC=C(C=C(C)C(=CC)CCNC(C)=O)OC
InChIInChI=1S/C13H21NO2/c1-6-13(7-8-14-12(4)15)10(2)9-11(3)16-5/h6,9H,3,7-8H2,1-2,4-5H3,(H,14,15)
InChIKeyFLPBNRBDRFQRHT-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
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

ZINC-melatonin
CID 129676060
N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide
CID 14811298
N-(3-methoxy-4-methylcyclohexa-2,4-dien-1-yl)acetamide
CID 58773924
N-(4-methoxy-3-methylcyclohexa-2,4-dien-1-yl)acetamide
CID 58773949
N-[2-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethyl]acetamide
CID 66875775
N-[2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl]acetamide
CID 68027848
N-[(3Z,4E)-3-ethylidene-4,6-dimethylhepta-4,6-dienyl]acetamide
CID 88563257
N-[(2E,4Z)-3-methoxy-4-methylhepta-2,4-dienyl]acetamide
CID 88971136
N-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 89073483
(3Z,5E)-5-ethoxy-7-methylidene-1,2,8,9-tetrahydroazecin-10-one
CID 89591584
N-[(4Z,6E)-7-butoxy-8-methoxy-3-methylideneocta-4,6-dienyl]acetamide
CID 117906275
N-[2-[6-(2-methoxyprop-2-enylidene)-5-propylidenecyclohexa-1,3-dien-1-yl]ethyl]acetamide
CID 123210080

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide?
The IUPAC name of N-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide (CID 123670587) is N-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide.
What is the SMILES notation for N-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide?
The canonical SMILES for N-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide is C=C(C=C(C)C(=CC)CCNC(C)=O)OC.
What is the InChIKey of N-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide?
The InChIKey is FLPBNRBDRFQRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-6-13(7-8-14-12(4)15)10(2)9-11(3)16-5/h6,9H,3,7-8H2,1-2,4-5H3,(H,14,15).
What are the key properties of N-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide?
N-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide has a molecular weight of 223.32 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide is sourced from PubChem (CID 123670587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).