2-(3-ethylcyclohexa-2,4-dien-1-yl)oxy-N-(2-hydroxyethyl)acetamide

C12H19NO3 — CID 139400788

IUPAC2-(3-ethylcyclohexa-2,4-dien-1-yl)oxy-N-(2-hydroxyethyl)acetamide
SMILESCCC1=CC(OCC(=O)NCCO)CC=C1
InChIInChI=1S/C12H19NO3/c1-2-10-4-3-5-11(8-10)16-9-12(15)13-6-7-14/h3-4,8,11,14H,2,5-7,9H2,1H3,(H,13,15)
InChIKeyDSTPZCPVWIGPIU-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.78
Rot. Bonds6

About 2-(3-ethylcyclohexa-2,4-dien-1-yl)oxy-N-(2-hydroxyethyl)acetamide

2-(3-ethylcyclohexa-2,4-dien-1-yl)oxy-N-(2-hydroxyethyl)acetamide (PubChem CID 139400788) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(3-ethylcyclohexa-2,4-dien-1-yl)oxy-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-ethylcyclohexa-2,4-dien-1-yl)oxy-N-(2-hydroxyethyl)acetamide
PubChem CID139400788
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(3-ethylcyclohexa-2,4-dien-1-yl)oxy-N-(2-hydroxyethyl)acetamide
SMILESCCC1=CC(OCC(=O)NCCO)CC=C1
InChIInChI=1S/C12H19NO3/c1-2-10-4-3-5-11(8-10)16-9-12(15)13-6-7-14/h3-4,8,11,14H,2,5-7,9H2,1H3,(H,13,15)
InChIKeyDSTPZCPVWIGPIU-UHFFFAOYSA-N
XLogP0.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexa-2,4-dien-1-yl)oxy-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(3-ethylcyclohexa-2,4-dien-1-yl)oxy-N-(2-hydroxyethyl)acetamide (CID 139400788) is 2-(3-ethylcyclohexa-2,4-dien-1-yl)oxy-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(3-ethylcyclohexa-2,4-dien-1-yl)oxy-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(3-ethylcyclohexa-2,4-dien-1-yl)oxy-N-(2-hydroxyethyl)acetamide is CCC1=CC(OCC(=O)NCCO)CC=C1.
What is the InChIKey of 2-(3-ethylcyclohexa-2,4-dien-1-yl)oxy-N-(2-hydroxyethyl)acetamide?
The InChIKey is DSTPZCPVWIGPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-10-4-3-5-11(8-10)16-9-12(15)13-6-7-14/h3-4,8,11,14H,2,5-7,9H2,1H3,(H,13,15).
What are the key properties of 2-(3-ethylcyclohexa-2,4-dien-1-yl)oxy-N-(2-hydroxyethyl)acetamide?
2-(3-ethylcyclohexa-2,4-dien-1-yl)oxy-N-(2-hydroxyethyl)acetamide has a molecular weight of 225.29 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexa-2,4-dien-1-yl)oxy-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 139400788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).