2-(6-methylcyclohepta-1,4,6-trien-1-yl)-N,N-dipropylacetamide

C16H25NO — CID 143107502

IUPAC2-(6-methylcyclohepta-1,4,6-trien-1-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CC1=CCC=CC(C)=C1
InChIInChI=1S/C16H25NO/c1-4-10-17(11-5-2)16(18)13-15-9-7-6-8-14(3)12-15/h6,8-9,12H,4-5,7,10-11,13H2,1-3H3
InChIKeyMDBVNBFOQUAANB-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.86
Rot. Bonds6

About 2-(6-methylcyclohepta-1,4,6-trien-1-yl)-N,N-dipropylacetamide

2-(6-methylcyclohepta-1,4,6-trien-1-yl)-N,N-dipropylacetamide (PubChem CID 143107502) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(6-methylcyclohepta-1,4,6-trien-1-yl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(6-methylcyclohepta-1,4,6-trien-1-yl)-N,N-dipropylacetamide
PubChem CID143107502
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(6-methylcyclohepta-1,4,6-trien-1-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CC1=CCC=CC(C)=C1
InChIInChI=1S/C16H25NO/c1-4-10-17(11-5-2)16(18)13-15-9-7-6-8-14(3)12-15/h6,8-9,12H,4-5,7,10-11,13H2,1-3H3
InChIKeyMDBVNBFOQUAANB-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(6-methylcyclohepta-1,4,6-trien-1-yl)-N,N-dipropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylcyclohepta-1,4,6-trien-1-yl)-N,N-dipropylacetamide?
The IUPAC name of 2-(6-methylcyclohepta-1,4,6-trien-1-yl)-N,N-dipropylacetamide (CID 143107502) is 2-(6-methylcyclohepta-1,4,6-trien-1-yl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(6-methylcyclohepta-1,4,6-trien-1-yl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(6-methylcyclohepta-1,4,6-trien-1-yl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)CC1=CCC=CC(C)=C1.
What is the InChIKey of 2-(6-methylcyclohepta-1,4,6-trien-1-yl)-N,N-dipropylacetamide?
The InChIKey is MDBVNBFOQUAANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-10-17(11-5-2)16(18)13-15-9-7-6-8-14(3)12-15/h6,8-9,12H,4-5,7,10-11,13H2,1-3H3.
What are the key properties of 2-(6-methylcyclohepta-1,4,6-trien-1-yl)-N,N-dipropylacetamide?
2-(6-methylcyclohepta-1,4,6-trien-1-yl)-N,N-dipropylacetamide has a molecular weight of 247.38 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylcyclohepta-1,4,6-trien-1-yl)-N,N-dipropylacetamide is sourced from PubChem (CID 143107502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).