2-methyl-N-[2-[methyl(octa-3,7-dienyl)amino]ethyl]prop-2-enamide

C15H26N2O — CID 91003328

IUPAC2-methyl-N-[2-[methyl(octa-3,7-dienyl)amino]ethyl]prop-2-enamide
SMILESC=CCCC=CCCN(C)CCNC(=O)C(=C)C
InChIInChI=1S/C15H26N2O/c1-5-6-7-8-9-10-12-17(4)13-11-16-15(18)14(2)3/h5,8-9H,1-2,6-7,10-13H2,3-4H3,(H,16,18)
InChIKeyBDZDPKIVRJMCAL-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.52
Rot. Bonds10

About 2-methyl-N-[2-[methyl(octa-3,7-dienyl)amino]ethyl]prop-2-enamide

2-methyl-N-[2-[methyl(octa-3,7-dienyl)amino]ethyl]prop-2-enamide (PubChem CID 91003328) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-methyl-N-[2-[methyl(octa-3,7-dienyl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-[methyl(octa-3,7-dienyl)amino]ethyl]prop-2-enamide
PubChem CID91003328
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-methyl-N-[2-[methyl(octa-3,7-dienyl)amino]ethyl]prop-2-enamide
SMILESC=CCCC=CCCN(C)CCNC(=O)C(=C)C
InChIInChI=1S/C15H26N2O/c1-5-6-7-8-9-10-12-17(4)13-11-16-15(18)14(2)3/h5,8-9H,1-2,6-7,10-13H2,3-4H3,(H,16,18)
InChIKeyBDZDPKIVRJMCAL-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methyl-N-[2-[methyl(octa-3,7-dienyl)amino]ethyl]prop-2-enamide 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

N-[2-[ethyl(methyl)amino]ethyl]-2-methylprop-2-enamide
CID 18414873
N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide
CID 87413302
N-[2-[dodecyl(methyl)amino]ethyl]-2-methylprop-2-enamide
CID 88943735
N-but-3-enyl-2-methylprop-2-enamide;urea
CID 87079419
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene
CID 91268844
2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
CID 173399852
N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide
CID 87732978
2-methyl-N-[2-[2-[3-methylbuta-1,3-dien-2-yl-[2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]amino]ethyl]amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide
CID 139439211
4-[methyl-[4-(2-methylprop-2-enoylamino)butyl]amino]butane-1-sulfonic acid
CID 170161162
2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 87914656
2-methyl-N-[2-(N-phenylanilino)ethyl]prop-2-enamide
CID 68579167
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[methyl(octa-3,7-dienyl)amino]ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-[methyl(octa-3,7-dienyl)amino]ethyl]prop-2-enamide (CID 91003328) is 2-methyl-N-[2-[methyl(octa-3,7-dienyl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-[methyl(octa-3,7-dienyl)amino]ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-[methyl(octa-3,7-dienyl)amino]ethyl]prop-2-enamide is C=CCCC=CCCN(C)CCNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[2-[methyl(octa-3,7-dienyl)amino]ethyl]prop-2-enamide?
The InChIKey is BDZDPKIVRJMCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-6-7-8-9-10-12-17(4)13-11-16-15(18)14(2)3/h5,8-9H,1-2,6-7,10-13H2,3-4H3,(H,16,18).
What are the key properties of 2-methyl-N-[2-[methyl(octa-3,7-dienyl)amino]ethyl]prop-2-enamide?
2-methyl-N-[2-[methyl(octa-3,7-dienyl)amino]ethyl]prop-2-enamide has a molecular weight of 250.39 g/mol, XLogP of 2.52, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[methyl(octa-3,7-dienyl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 91003328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).