1-N,1-diethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide

C13H20N2O2 — CID 154344570

IUPAC1-N,1-diethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide
SMILESCCNC(=O)C1(CC)C=C(C)C=C(C(N)=O)C1
InChIInChI=1S/C13H20N2O2/c1-4-13(12(17)15-5-2)7-9(3)6-10(8-13)11(14)16/h6-7H,4-5,8H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyVDENXZMYFZJFPJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.28
Rot. Bonds4

About 1-N,1-diethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide

1-N,1-diethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide (PubChem CID 154344570) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-N,1-diethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,1-diethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide
PubChem CID154344570
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-N,1-diethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide
SMILESCCNC(=O)C1(CC)C=C(C)C=C(C(N)=O)C1
InChIInChI=1S/C13H20N2O2/c1-4-13(12(17)15-5-2)7-9(3)6-10(8-13)11(14)16/h6-7H,4-5,8H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyVDENXZMYFZJFPJ-UHFFFAOYSA-N
XLogP1.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-3-(3-methylhexan-3-yl)-1H-pyridin-2-one
CID 129252845
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4,4-dimethyl-N-propan-2-ylcyclopentene-1-carboxamide
CID 21726909
4,4-dimethyl-N-propylcyclopentene-1-carboxamide
CID 21726910
4-prop-1-en-2-yl-N-propylcyclohexene-1-carboxamide
CID 10443013
6,7-Dimethyl-1-oxo-1,3,4,5-tetrahydro-isoquinoline
CID 19804098
1-[[1-methyl-2-(2-oxo-1H-pyridin-3-yl)cyclopropyl]methyl]pyridin-2-one
CID 53817250
N-ethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide
CID 69866011
N,1-diethyl-5-methylcyclohexa-2,4-diene-1-carboxamide
CID 70141704
N,5-diethyl-5-methylcyclohexa-1,3-diene-1-carboxamide
CID 70141705
3-(2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-N,3-dimethyl-N-[3-(methylamino)propyl]butanamide
CID 71292632
3-((6-Hydroxypyridin-2-yl)methyl)-3-methylpiperidin-2-one
CID 86660750

Frequently Asked Questions

What is the IUPAC name of 1-N,1-diethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide?
The IUPAC name of 1-N,1-diethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide (CID 154344570) is 1-N,1-diethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,1-diethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide?
The canonical SMILES for 1-N,1-diethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide is CCNC(=O)C1(CC)C=C(C)C=C(C(N)=O)C1.
What is the InChIKey of 1-N,1-diethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide?
The InChIKey is VDENXZMYFZJFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-13(12(17)15-5-2)7-9(3)6-10(8-13)11(14)16/h6-7H,4-5,8H2,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of 1-N,1-diethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide?
1-N,1-diethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-diethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide is sourced from PubChem (CID 154344570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).