2-(diethylamino)-N-(2,6-dimethylcyclohepta-1,3,5-trien-1-yl)acetamide

C15H24N2O — CID 142109143

IUPAC2-(diethylamino)-N-(2,6-dimethylcyclohepta-1,3,5-trien-1-yl)acetamide
SMILESCCN(CC)CC(=O)NC1=C(C)C=CC=C(C)C1
InChIInChI=1S/C15H24N2O/c1-5-17(6-2)11-15(18)16-14-10-12(3)8-7-9-13(14)4/h7-9H,5-6,10-11H2,1-4H3,(H,16,18)
InChIKeyQJMJQTZFFQQPHL-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.62
Rot. Bonds5

About 2-(diethylamino)-N-(2,6-dimethylcyclohepta-1,3,5-trien-1-yl)acetamide

2-(diethylamino)-N-(2,6-dimethylcyclohepta-1,3,5-trien-1-yl)acetamide (PubChem CID 142109143) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2,6-dimethylcyclohepta-1,3,5-trien-1-yl)acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(2,6-dimethylcyclohepta-1,3,5-trien-1-yl)acetamide
PubChem CID142109143
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(diethylamino)-N-(2,6-dimethylcyclohepta-1,3,5-trien-1-yl)acetamide
SMILESCCN(CC)CC(=O)NC1=C(C)C=CC=C(C)C1
InChIInChI=1S/C15H24N2O/c1-5-17(6-2)11-15(18)16-14-10-12(3)8-7-9-13(14)4/h7-9H,5-6,10-11H2,1-4H3,(H,16,18)
InChIKeyQJMJQTZFFQQPHL-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(cyclobutylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide
CID 67562657
4-butyl-3,3,5,5,7-pentamethyl-1H-1,4-diazepin-2-one
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6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one
CID 70667218
6,7-diethyl-4-(2-methylpropyl)-3,5-dihydro-1H-1,4-diazepin-2-one
CID 70667282
2-(dimethylamino)-N-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]acetamide
CID 89024054
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CID 89368937
2-(dimethylamino)-1-(4-methylidene-3,7-dihydro-2H-azepin-1-yl)ethanone
CID 117659398
2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide
CID 123468915
N-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2,6-dimethylcyclohepta-1,3,5-trien-1-yl)acetamide?
The IUPAC name of 2-(diethylamino)-N-(2,6-dimethylcyclohepta-1,3,5-trien-1-yl)acetamide (CID 142109143) is 2-(diethylamino)-N-(2,6-dimethylcyclohepta-1,3,5-trien-1-yl)acetamide.
What is the SMILES notation for 2-(diethylamino)-N-(2,6-dimethylcyclohepta-1,3,5-trien-1-yl)acetamide?
The canonical SMILES for 2-(diethylamino)-N-(2,6-dimethylcyclohepta-1,3,5-trien-1-yl)acetamide is CCN(CC)CC(=O)NC1=C(C)C=CC=C(C)C1.
What is the InChIKey of 2-(diethylamino)-N-(2,6-dimethylcyclohepta-1,3,5-trien-1-yl)acetamide?
The InChIKey is QJMJQTZFFQQPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-17(6-2)11-15(18)16-14-10-12(3)8-7-9-13(14)4/h7-9H,5-6,10-11H2,1-4H3,(H,16,18).
What are the key properties of 2-(diethylamino)-N-(2,6-dimethylcyclohepta-1,3,5-trien-1-yl)acetamide?
2-(diethylamino)-N-(2,6-dimethylcyclohepta-1,3,5-trien-1-yl)acetamide has a molecular weight of 248.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2,6-dimethylcyclohepta-1,3,5-trien-1-yl)acetamide is sourced from PubChem (CID 142109143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).