1-ethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide

C11H16N2O2 — CID 152748812

IUPAC1-ethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide
SMILESCCC1(C(N)=O)C=C(C)C=C(C(N)=O)C1
InChIInChI=1S/C11H16N2O2/c1-3-11(10(13)15)5-7(2)4-8(6-11)9(12)14/h4-5H,3,6H2,1-2H3,(H2,12,14)(H2,13,15)
InChIKeyKUPALKNVKFQSIV-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.63
Rot. Bonds3

About 1-ethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide

1-ethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide (PubChem CID 152748812) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-ethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-ethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide
PubChem CID152748812
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-ethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide
SMILESCCC1(C(N)=O)C=C(C)C=C(C(N)=O)C1
InChIInChI=1S/C11H16N2O2/c1-3-11(10(13)15)5-7(2)4-8(6-11)9(12)14/h4-5H,3,6H2,1-2H3,(H2,12,14)(H2,13,15)
InChIKeyKUPALKNVKFQSIV-UHFFFAOYSA-N
XLogP0.63
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-diethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide
CID 154344570
1-[(4-ethylphenyl)methyl]-5-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 151121661
1-(methoxymethyl)-5-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 151357470
1-ethylcyclobut-2-ene-1-carboxamide
CID 131980488
5-(pyridin-4-ylmethyl)cyclohexa-1,3-diene-1,3,5-tricarboxamide
CID 151146620
1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide
CID 152768164
1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide
CID 175781339
[(3,6,6-trimethylcyclohepta-2,4-dien-1-ylidene)amino]urea
CID 162854462
1-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]butan-2-yl]-5-methyl-1-N,1-N-dipropylcyclohexa-3,5-diene-1,3-dicarboxamide
CID 152744578
1-cyclopropyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 151940722
1-[(2S,3R)-3-hydroxy-4-[3-(4-methylphenyl)propylamino]-1-phenylbutan-2-yl]-5-methyl-1-N,1-N-dipropylcyclohexa-3,5-diene-1,3-dicarboxamide;hydrochloride
CID 159888990
[(4,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylideneamino]urea
CID 131882036

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide?
The IUPAC name of 1-ethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide (CID 152748812) is 1-ethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide.
What is the SMILES notation for 1-ethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide?
The canonical SMILES for 1-ethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide is CCC1(C(N)=O)C=C(C)C=C(C(N)=O)C1.
What is the InChIKey of 1-ethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide?
The InChIKey is KUPALKNVKFQSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-11(10(13)15)5-7(2)4-8(6-11)9(12)14/h4-5H,3,6H2,1-2H3,(H2,12,14)(H2,13,15).
What are the key properties of 1-ethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide?
1-ethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide is sourced from PubChem (CID 152748812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).