N-[2-[6-(2-methoxyprop-2-enylidene)-5-propylidenecyclohexa-1,3-dien-1-yl]ethyl]acetamide

C17H23NO2 — CID 123210080

IUPACN-[2-[6-(2-methoxyprop-2-enylidene)-5-propylidenecyclohexa-1,3-dien-1-yl]ethyl]acetamide
SMILESC=C(C=c1c(CCNC(C)=O)cccc1=CCC)OC
InChIInChI=1S/C17H23NO2/c1-5-7-15-8-6-9-16(10-11-18-14(3)19)17(15)12-13(2)20-4/h6-9,12H,2,5,10-11H2,1,3-4H3,(H,18,19)
InChIKeyORUOXYGAQAFZJW-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.50
Rot. Bonds6

About N-[2-[6-(2-methoxyprop-2-enylidene)-5-propylidenecyclohexa-1,3-dien-1-yl]ethyl]acetamide

N-[2-[6-(2-methoxyprop-2-enylidene)-5-propylidenecyclohexa-1,3-dien-1-yl]ethyl]acetamide (PubChem CID 123210080) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-[6-(2-methoxyprop-2-enylidene)-5-propylidenecyclohexa-1,3-dien-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-(2-methoxyprop-2-enylidene)-5-propylidenecyclohexa-1,3-dien-1-yl]ethyl]acetamide
PubChem CID123210080
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[2-[6-(2-methoxyprop-2-enylidene)-5-propylidenecyclohexa-1,3-dien-1-yl]ethyl]acetamide
SMILESC=C(C=c1c(CCNC(C)=O)cccc1=CCC)OC
InChIInChI=1S/C17H23NO2/c1-5-7-15-8-6-9-16(10-11-18-14(3)19)17(15)12-13(2)20-4/h6-9,12H,2,5,10-11H2,1,3-4H3,(H,18,19)
InChIKeyORUOXYGAQAFZJW-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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
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CID 66875775
N-[2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl]acetamide
CID 68027848
3-methoxy-N-octadecyl-6-(oxomethylidene)cyclohexa-2,4-diene-1-carboxamide
CID 87104706
N-[(10-methoxy-4-tricyclo[7.4.1.05,14]tetradeca-1(13),2,5(14),9,11-pentaenyl)methyl]acetamide
CID 88193550
N-[2-(8-methoxy-3,10a-dihydro-2H-xanthen-1-yl)ethyl]acetamide
CID 88250957
N-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 89073483
N-[2-(7-methoxy-1,8a-dihydronaphthalen-1-yl)ethyl]acetamide
CID 90348267
N-[(4Z,6E)-7-butoxy-8-methoxy-3-methylideneocta-4,6-dienyl]acetamide
CID 117906275
N-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide
CID 123670587
N-[2-(7-methoxy-6,7-dihydronaphthalen-1-yl)ethyl]acetamide
CID 126607224

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(2-methoxyprop-2-enylidene)-5-propylidenecyclohexa-1,3-dien-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[6-(2-methoxyprop-2-enylidene)-5-propylidenecyclohexa-1,3-dien-1-yl]ethyl]acetamide (CID 123210080) is N-[2-[6-(2-methoxyprop-2-enylidene)-5-propylidenecyclohexa-1,3-dien-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[6-(2-methoxyprop-2-enylidene)-5-propylidenecyclohexa-1,3-dien-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[6-(2-methoxyprop-2-enylidene)-5-propylidenecyclohexa-1,3-dien-1-yl]ethyl]acetamide is C=C(C=c1c(CCNC(C)=O)cccc1=CCC)OC.
What is the InChIKey of N-[2-[6-(2-methoxyprop-2-enylidene)-5-propylidenecyclohexa-1,3-dien-1-yl]ethyl]acetamide?
The InChIKey is ORUOXYGAQAFZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-5-7-15-8-6-9-16(10-11-18-14(3)19)17(15)12-13(2)20-4/h6-9,12H,2,5,10-11H2,1,3-4H3,(H,18,19).
What are the key properties of N-[2-[6-(2-methoxyprop-2-enylidene)-5-propylidenecyclohexa-1,3-dien-1-yl]ethyl]acetamide?
N-[2-[6-(2-methoxyprop-2-enylidene)-5-propylidenecyclohexa-1,3-dien-1-yl]ethyl]acetamide has a molecular weight of 273.38 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(2-methoxyprop-2-enylidene)-5-propylidenecyclohexa-1,3-dien-1-yl]ethyl]acetamide is sourced from PubChem (CID 123210080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).