2-(dimethylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide

C13H20N2O — CID 67561779

IUPAC2-(dimethylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide
SMILESCC1=CCC=C(N(C)C(=O)CN(C)C)C=C1
InChIInChI=1S/C13H20N2O/c1-11-6-5-7-12(9-8-11)15(4)13(16)10-14(2)3/h6-9H,5,10H2,1-4H3
InChIKeyNESFOOKPWBCZMX-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.80
Rot. Bonds3

About 2-(dimethylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide

2-(dimethylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide (PubChem CID 67561779) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(dimethylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide
PubChem CID67561779
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(dimethylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide
SMILESCC1=CCC=C(N(C)C(=O)CN(C)C)C=C1
InChIInChI=1S/C13H20N2O/c1-11-6-5-7-12(9-8-11)15(4)13(16)10-14(2)3/h6-9H,5,10H2,1-4H3
InChIKeyNESFOOKPWBCZMX-UHFFFAOYSA-N
XLogP1.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide (CID 67561779) is 2-(dimethylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide is CC1=CCC=C(N(C)C(=O)CN(C)C)C=C1.
What is the InChIKey of 2-(dimethylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide?
The InChIKey is NESFOOKPWBCZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-6-5-7-12(9-8-11)15(4)13(16)10-14(2)3/h6-9H,5,10H2,1-4H3.
What are the key properties of 2-(dimethylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide?
2-(dimethylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide has a molecular weight of 220.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide is sourced from PubChem (CID 67561779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).