2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide

C15H26N2O — CID 123468915

IUPAC2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide
SMILESC=C(C)C=CC=C(C)CNC(=O)CN(CC)CC
InChIInChI=1S/C15H26N2O/c1-6-17(7-2)12-15(18)16-11-14(5)10-8-9-13(3)4/h8-10H,3,6-7,11-12H2,1-2,4-5H3,(H,16,18)
InChIKeyBMFKJDAJBRHDDG-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.52
Rot. Bonds8

About 2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide

2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide (PubChem CID 123468915) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide
PubChem CID123468915
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide
SMILESC=C(C)C=CC=C(C)CNC(=O)CN(CC)CC
InChIInChI=1S/C15H26N2O/c1-6-17(7-2)12-15(18)16-11-14(5)10-8-9-13(3)4/h8-10H,3,6-7,11-12H2,1-2,4-5H3,(H,16,18)
InChIKeyBMFKJDAJBRHDDG-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

(2Z,4E)-N-[2-(dimethylamino)-2-oxoethyl]-2-[(E)-1-fluoroprop-1-enyl]hexa-2,4-dienamide
CID 88889308
2-amino-N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide
CID 144160334
N-ethyl-2-[(2-fluorocyclohexa-2,4-dien-1-yl)methyl-methylamino]acetamide
CID 146259448
N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide
CID 59266736
N'-[(2Z)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide
CID 59266737
N'-(3,7-dimethylocta-2,6-dienyl)-N-ethyloxamide
CID 72265550
2-[cyclohepta-3,5-dien-1-yl(methyl)amino]-N-methylacetamide
CID 177930865
2-(propylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114489901
(3Z,5E)-N-(2-amino-2-oxoethyl)-7,7,7-trifluoro-6-methylhepta-3,5-dienamide
CID 144396226
N-(2-aminoethyl)-N-[(Z,2E)-6,6,6-trifluoro-2-propylidenehex-3-enyl]acetamide
CID 162556626
2-(cyclohexa-2,4-dien-1-ylamino)-N-propan-2-ylacetamide
CID 17803037
2-(cyclohexa-2,4-dien-1-ylamino)-N-ethylacetamide
CID 17803038

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide?
The IUPAC name of 2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide (CID 123468915) is 2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide.
What is the SMILES notation for 2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide?
The canonical SMILES for 2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide is C=C(C)C=CC=C(C)CNC(=O)CN(CC)CC.
What is the InChIKey of 2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide?
The InChIKey is BMFKJDAJBRHDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-17(7-2)12-15(18)16-11-14(5)10-8-9-13(3)4/h8-10H,3,6-7,11-12H2,1-2,4-5H3,(H,16,18).
What are the key properties of 2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide?
2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide has a molecular weight of 250.39 g/mol, XLogP of 2.52, 8 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-dimethylhepta-2,4,6-trienyl)acetamide is sourced from PubChem (CID 123468915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).