N-[2-(4-methoxycyclohexa-1,5-dien-1-yl)ethyl]propanamide

C12H19NO2 — CID 154930851

IUPACN-[2-(4-methoxycyclohexa-1,5-dien-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1=CCC(OC)C=C1
InChIInChI=1S/C12H19NO2/c1-3-12(14)13-9-8-10-4-6-11(15-2)7-5-10/h4-6,11H,3,7-9H2,1-2H3,(H,13,14)
InChIKeyIFDGOJYWMRYLCX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.80
Rot. Bonds5

About N-[2-(4-methoxycyclohexa-1,5-dien-1-yl)ethyl]propanamide

N-[2-(4-methoxycyclohexa-1,5-dien-1-yl)ethyl]propanamide (PubChem CID 154930851) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[2-(4-methoxycyclohexa-1,5-dien-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxycyclohexa-1,5-dien-1-yl)ethyl]propanamide
PubChem CID154930851
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-[2-(4-methoxycyclohexa-1,5-dien-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1=CCC(OC)C=C1
InChIInChI=1S/C12H19NO2/c1-3-12(14)13-9-8-10-4-6-11(15-2)7-5-10/h4-6,11H,3,7-9H2,1-2H3,(H,13,14)
InChIKeyIFDGOJYWMRYLCX-UHFFFAOYSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxycyclohexa-1,5-dien-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(4-methoxycyclohexa-1,5-dien-1-yl)ethyl]propanamide (CID 154930851) is N-[2-(4-methoxycyclohexa-1,5-dien-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(4-methoxycyclohexa-1,5-dien-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(4-methoxycyclohexa-1,5-dien-1-yl)ethyl]propanamide is CCC(=O)NCCC1=CCC(OC)C=C1.
What is the InChIKey of N-[2-(4-methoxycyclohexa-1,5-dien-1-yl)ethyl]propanamide?
The InChIKey is IFDGOJYWMRYLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-12(14)13-9-8-10-4-6-11(15-2)7-5-10/h4-6,11H,3,7-9H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(4-methoxycyclohexa-1,5-dien-1-yl)ethyl]propanamide?
N-[2-(4-methoxycyclohexa-1,5-dien-1-yl)ethyl]propanamide has a molecular weight of 209.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxycyclohexa-1,5-dien-1-yl)ethyl]propanamide is sourced from PubChem (CID 154930851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).