N-[2-[dodecyl(methyl)amino]ethyl]-2-methylprop-2-enamide

C19H38N2O — CID 88943735

IUPACN-[2-[dodecyl(methyl)amino]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCN(C)CCCCCCCCCCCC
InChIInChI=1S/C19H38N2O/c1-5-6-7-8-9-10-11-12-13-14-16-21(4)17-15-20-19(22)18(2)3/h2,5-17H2,1,3-4H3,(H,20,22)
InChIKeyULNFKRQZWASRFN-UHFFFAOYSA-N
MW310.53 g/mol
LogP4.53
Rot. Bonds15

About N-[2-[dodecyl(methyl)amino]ethyl]-2-methylprop-2-enamide

N-[2-[dodecyl(methyl)amino]ethyl]-2-methylprop-2-enamide (PubChem CID 88943735) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is N-[2-[dodecyl(methyl)amino]ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[dodecyl(methyl)amino]ethyl]-2-methylprop-2-enamide
PubChem CID88943735
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC NameN-[2-[dodecyl(methyl)amino]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCN(C)CCCCCCCCCCCC
InChIInChI=1S/C19H38N2O/c1-5-6-7-8-9-10-11-12-13-14-16-21(4)17-15-20-19(22)18(2)3/h2,5-17H2,1,3-4H3,(H,20,22)
InChIKeyULNFKRQZWASRFN-UHFFFAOYSA-N
XLogP4.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[ethyl(methyl)amino]ethyl]-2-methylprop-2-enamide
CID 18414873
N-icosyl-2-methylprop-2-enamide
CID 22336363
N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide
CID 87413302
4-[methyl-[4-(2-methylprop-2-enoylamino)butyl]amino]butane-1-sulfonic acid
CID 170161162
2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
CID 87504173
2-methyl-N-[3-(octadecylamino)-3-oxopropyl]prop-2-enamide
CID 176871830
N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide
CID 129275452
dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-octylazanium
CID 87318996
2-methyl-N-[2-[methyl(octa-3,7-dienyl)amino]ethyl]prop-2-enamide
CID 91003328
1-N,2-N-bis[2-[methyl(tridecyl)amino]ethyl]benzene-1,2-dicarboxamide
CID 139953242
[acetyloxy-[3-(2-methylprop-2-enoylamino)propyl]-octylsilyl] acetate
CID 88654942
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706

Frequently Asked Questions

What is the IUPAC name of N-[2-[dodecyl(methyl)amino]ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-[dodecyl(methyl)amino]ethyl]-2-methylprop-2-enamide (CID 88943735) is N-[2-[dodecyl(methyl)amino]ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-[dodecyl(methyl)amino]ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-[dodecyl(methyl)amino]ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCN(C)CCCCCCCCCCCC.
What is the InChIKey of N-[2-[dodecyl(methyl)amino]ethyl]-2-methylprop-2-enamide?
The InChIKey is ULNFKRQZWASRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-5-6-7-8-9-10-11-12-13-14-16-21(4)17-15-20-19(22)18(2)3/h2,5-17H2,1,3-4H3,(H,20,22).
What are the key properties of N-[2-[dodecyl(methyl)amino]ethyl]-2-methylprop-2-enamide?
N-[2-[dodecyl(methyl)amino]ethyl]-2-methylprop-2-enamide has a molecular weight of 310.53 g/mol, XLogP of 4.53, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[dodecyl(methyl)amino]ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 88943735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).