N-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide

C15H26N2O — CID 123491190

IUPACN-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide
SMILESC=C(C)C(NC(=O)CN(C)CC)=C(C)C=CCC
InChIInChI=1S/C15H26N2O/c1-7-9-10-13(5)15(12(3)4)16-14(18)11-17(6)8-2/h9-10H,3,7-8,11H2,1-2,4-6H3,(H,16,18)
InChIKeyIDFDHESKQKYHTM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.87
Rot. Bonds7

About N-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide

N-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide (PubChem CID 123491190) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide
PubChem CID123491190
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide
SMILESC=C(C)C(NC(=O)CN(C)CC)=C(C)C=CCC
InChIInChI=1S/C15H26N2O/c1-7-9-10-13(5)15(12(3)4)16-14(18)11-17(6)8-2/h9-10H,3,7-8,11H2,1-2,4-6H3,(H,16,18)
InChIKeyIDFDHESKQKYHTM-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E)-2-(2-fluoro-3-methylbut-2-enylidene)-3H-pyrrol-1-yl]acetamide
CID 146550576
2-[3-(ethylamino)-5-methyl-2-oxo-3H-azepin-1-yl]-N-methylacetamide
CID 22948707
N-(1,5-diethyl-2-methyl-2H-pyridin-3-yl)acetamide
CID 57008675
N-(1,5-dimethyl-2H-pyridin-3-yl)acetamide
CID 57076374
N-(1,5-diethyl-2H-pyridin-3-yl)acetamide
CID 57310396
3-(dimethylamino)-4,5,6-trimethyl-1H-pyridin-2-one
CID 59975106
2-methyl-2-(methylamino)-N-(3-methylbenzene-4-id-1-yl)propanamide;yttrium
CID 60015356
4-Propan-2-yl-1,3,5,6-tetrahydroquinoxalin-2-one
CID 60067168
N-[(2Z,4E,6E)-4-ethylidene-6-methylnona-2,6-dien-5-yl]-2-(methylamino)acetamide
CID 60083127
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)prop-2-enamide
CID 66633193
2-(dimethylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide
CID 67561779
N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-(propan-2-ylamino)acetamide
CID 67562653

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide?
The IUPAC name of N-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide (CID 123491190) is N-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide?
The canonical SMILES for N-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide is C=C(C)C(NC(=O)CN(C)CC)=C(C)C=CCC.
What is the InChIKey of N-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide?
The InChIKey is IDFDHESKQKYHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-7-9-10-13(5)15(12(3)4)16-14(18)11-17(6)8-2/h9-10H,3,7-8,11H2,1-2,4-6H3,(H,16,18).
What are the key properties of N-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide?
N-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide has a molecular weight of 250.39 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide is sourced from PubChem (CID 123491190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).