N,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide

C18H32N2O2 — CID 146260613

IUPACN,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(C)CC(C)(C)CCN(C)C(=O)C(=C)C
InChIInChI=1S/C18H32N2O2/c1-9-16(21)20(8)13-15(4)12-18(5,6)10-11-19(7)17(22)14(2)3/h9,15H,1-2,10-13H2,3-8H3
InChIKeyDJSIIBFXUCYRJN-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.11
Rot. Bonds9

About N,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide

N,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide (PubChem CID 146260613) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide
PubChem CID146260613
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(C)CC(C)(C)CCN(C)C(=O)C(=C)C
InChIInChI=1S/C18H32N2O2/c1-9-16(21)20(8)13-15(4)12-18(5,6)10-11-19(7)17(22)14(2)3/h9,15H,1-2,10-13H2,3-8H3
InChIKeyDJSIIBFXUCYRJN-UHFFFAOYSA-N
XLogP3.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2,4,4-trimethyl-6-(methylamino)hexyl]prop-2-enamide
CID 142235981
N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 23525820
N-(2-aminopropyl)-N-methylprop-2-enamide
CID 130563514
N-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide
CID 138739134
N,2-dimethyl-N-[3-[1-[3-[methyl(2-methylprop-2-enoyl)amino]propoxy]ethoxy]propyl]prop-2-enamide
CID 21285723
N-methyl-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)prop-2-enamide
CID 21020776
N-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide
CID 171093206
2-[[methyl(2-methylprop-2-enoyl)amino]methyl]hexanoic acid
CID 91186254
azane;1-[methyl(prop-2-enoyl)amino]propane-2-sulfonic acid
CID 87438515
N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide
CID 106915065
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
N-methyl-N-(3-sulfanylbutyl)prop-2-enamide
CID 141133278

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide?
The IUPAC name of N,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide (CID 146260613) is N,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide.
What is the SMILES notation for N,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide?
The canonical SMILES for N,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide is C=CC(=O)N(C)CC(C)CC(C)(C)CCN(C)C(=O)C(=C)C.
What is the InChIKey of N,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide?
The InChIKey is DJSIIBFXUCYRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-9-16(21)20(8)13-15(4)12-18(5,6)10-11-19(7)17(22)14(2)3/h9,15H,1-2,10-13H2,3-8H3.
What are the key properties of N,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide?
N,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide has a molecular weight of 308.47 g/mol, XLogP of 3.11, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide is sourced from PubChem (CID 146260613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).