N-ethyl-2-hydroxy-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide

C13H21NO2 — CID 11287512

IUPACN-ethyl-2-hydroxy-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide
SMILESCCN(C(=O)CO)C1=CC(C)(C)CC(C)=C1
InChIInChI=1S/C13H21NO2/c1-5-14(12(16)9-15)11-6-10(2)7-13(3,4)8-11/h6,8,15H,5,7,9H2,1-4H3
InChIKeyHOBFJAZXVCFSKG-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.09
Rot. Bonds3

About N-ethyl-2-hydroxy-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide

N-ethyl-2-hydroxy-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide (PubChem CID 11287512) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide
PubChem CID11287512
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-ethyl-2-hydroxy-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide
SMILESCCN(C(=O)CO)C1=CC(C)(C)CC(C)=C1
InChIInChI=1S/C13H21NO2/c1-5-14(12(16)9-15)11-6-10(2)7-13(3,4)8-11/h6,8,15H,5,7,9H2,1-4H3
InChIKeyHOBFJAZXVCFSKG-UHFFFAOYSA-N
XLogP2.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide?
The IUPAC name of N-ethyl-2-hydroxy-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide (CID 11287512) is N-ethyl-2-hydroxy-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide.
What is the SMILES notation for N-ethyl-2-hydroxy-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide?
The canonical SMILES for N-ethyl-2-hydroxy-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide is CCN(C(=O)CO)C1=CC(C)(C)CC(C)=C1.
What is the InChIKey of N-ethyl-2-hydroxy-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide?
The InChIKey is HOBFJAZXVCFSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-14(12(16)9-15)11-6-10(2)7-13(3,4)8-11/h6,8,15H,5,7,9H2,1-4H3.
What are the key properties of N-ethyl-2-hydroxy-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide?
N-ethyl-2-hydroxy-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide has a molecular weight of 223.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide is sourced from PubChem (CID 11287512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).