2-(diethylamino)-N-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide

C15H24N2O — CID 130180921

IUPAC2-(diethylamino)-N-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide
SMILESCCN(CC)CC(=O)NC1=C(C)C=CCC=C1C
InChIInChI=1S/C15H24N2O/c1-5-17(6-2)11-14(18)16-15-12(3)9-7-8-10-13(15)4/h7,9-10H,5-6,8,11H2,1-4H3,(H,16,18)
InChIKeyQEEFMSOVTCKBIK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.62
Rot. Bonds5

About 2-(diethylamino)-N-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide

2-(diethylamino)-N-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide (PubChem CID 130180921) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide
PubChem CID130180921
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(diethylamino)-N-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide
SMILESCCN(CC)CC(=O)NC1=C(C)C=CCC=C1C
InChIInChI=1S/C15H24N2O/c1-5-17(6-2)11-14(18)16-15-12(3)9-7-8-10-13(15)4/h7,9-10H,5-6,8,11H2,1-4H3,(H,16,18)
InChIKeyQEEFMSOVTCKBIK-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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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide?
The IUPAC name of 2-(diethylamino)-N-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide (CID 130180921) is 2-(diethylamino)-N-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide.
What is the SMILES notation for 2-(diethylamino)-N-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide?
The canonical SMILES for 2-(diethylamino)-N-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide is CCN(CC)CC(=O)NC1=C(C)C=CCC=C1C.
What is the InChIKey of 2-(diethylamino)-N-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide?
The InChIKey is QEEFMSOVTCKBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-17(6-2)11-14(18)16-15-12(3)9-7-8-10-13(15)4/h7,9-10H,5-6,8,11H2,1-4H3,(H,16,18).
What are the key properties of 2-(diethylamino)-N-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide?
2-(diethylamino)-N-(2,7-dimethylcyclohepta-1,3,6-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-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide is sourced from PubChem (CID 130180921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).