1,3-diethyl-6-methylcyclohexa-2,4-diene-1-carboxamide

C12H19NO — CID 70571702

IUPAC1,3-diethyl-6-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCCC1=CC(CC)(C(N)=O)C(C)C=C1
InChIInChI=1S/C12H19NO/c1-4-10-7-6-9(3)12(5-2,8-10)11(13)14/h6-9H,4-5H2,1-3H3,(H2,13,14)
InChIKeyIEXKDJQLGPZEDV-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.41
Rot. Bonds3

About 1,3-diethyl-6-methylcyclohexa-2,4-diene-1-carboxamide

1,3-diethyl-6-methylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 70571702) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1,3-diethyl-6-methylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1,3-diethyl-6-methylcyclohexa-2,4-diene-1-carboxamide
PubChem CID70571702
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1,3-diethyl-6-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCCC1=CC(CC)(C(N)=O)C(C)C=C1
InChIInChI=1S/C12H19NO/c1-4-10-7-6-9(3)12(5-2,8-10)11(13)14/h6-9H,4-5H2,1-3H3,(H2,13,14)
InChIKeyIEXKDJQLGPZEDV-UHFFFAOYSA-N
XLogP2.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,1,1-Trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide
CID 67216695
6-Tert-butyl-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 122604237
1-(1,1,1-Trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-diene-1-carboxamide
CID 122604384
1-Cyclopropyl-6-fluoro-2-methylcyclohexa-2,4-diene-1-carboxamide
CID 150253223
2-Fluoro-1,6-dimethylcyclohexa-2,4-diene-1-carboxamide
CID 151036453
6-Methyl-2-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 163719149
1-(2,2-Difluoroethyl)-4,5-difluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 176085043
2,2-Diethyl-pentenamid
CID 129890463
2-(1-Methylethyl)-2-(2-propen-1-yl)-4-pentenamide
CID 129891372
1,3-Dimethylcyclohexa-2,4-diene-1-carboxamide
CID 19374995
2-Cyclopenta-1,3-dien-1-yl-2-methylpropanamide
CID 22107352
1-Methylcyclohexa-2,4-diene-1-carboxamide
CID 46835245

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-6-methylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1,3-diethyl-6-methylcyclohexa-2,4-diene-1-carboxamide (CID 70571702) is 1,3-diethyl-6-methylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1,3-diethyl-6-methylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1,3-diethyl-6-methylcyclohexa-2,4-diene-1-carboxamide is CCC1=CC(CC)(C(N)=O)C(C)C=C1.
What is the InChIKey of 1,3-diethyl-6-methylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is IEXKDJQLGPZEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-10-7-6-9(3)12(5-2,8-10)11(13)14/h6-9H,4-5H2,1-3H3,(H2,13,14).
What are the key properties of 1,3-diethyl-6-methylcyclohexa-2,4-diene-1-carboxamide?
1,3-diethyl-6-methylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-6-methylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 70571702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).