2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide

C18H32N2O4 — CID 129238388

IUPAC2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCC(C)COCCOCC(C)CNC(=O)C(=C)C
InChIInChI=1S/C18H32N2O4/c1-13(2)17(21)19-9-15(5)11-23-7-8-24-12-16(6)10-20-18(22)14(3)4/h15-16H,1,3,7-12H2,2,4-6H3,(H,19,21)(H,20,22)
InChIKeyYGNPRIPDGYOQQU-UHFFFAOYSA-N
MW340.46 g/mol
LogP1.68
Rot. Bonds13

About 2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide

2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide (PubChem CID 129238388) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
PubChem CID129238388
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCC(C)COCCOCC(C)CNC(=O)C(=C)C
InChIInChI=1S/C18H32N2O4/c1-13(2)17(21)19-9-15(5)11-23-7-8-24-12-16(6)10-20-18(22)14(3)4/h15-16H,1,3,7-12H2,2,4-6H3,(H,19,21)(H,20,22)
InChIKeyYGNPRIPDGYOQQU-UHFFFAOYSA-N
XLogP1.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide with MolForge

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Related Compounds

[2-methyl-3-(2-methylprop-2-enoylamino)propyl] methanesulfonate
CID 87327562
trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium
CID 87943190
2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 22336753
2-methyl-N-[2-methyl-3-[3-methyl-4-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]butan-2-yl]oxypropyl]prop-2-enamide
CID 139442661
N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 159380399
hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 87755917
1-hydroxy-2-(2-methylprop-2-enoylamino)ethanesulfonic acid
CID 54533259
N-(3-butoxy-2-methylpropyl)acetamide
CID 134356705
potassium 2-methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate
CID 138705740
2-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]butoxy]ethyl 2-methylprop-2-enoate
CID 87574395
N-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl]-2-methylprop-2-enamide
CID 175714960
2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide
CID 89088591

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide (CID 129238388) is 2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide is C=C(C)C(=O)NCC(C)COCCOCC(C)CNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide?
The InChIKey is YGNPRIPDGYOQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-13(2)17(21)19-9-15(5)11-23-7-8-24-12-16(6)10-20-18(22)14(3)4/h15-16H,1,3,7-12H2,2,4-6H3,(H,19,21)(H,20,22).
What are the key properties of 2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide?
2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide has a molecular weight of 340.46 g/mol, XLogP of 1.68, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide is sourced from PubChem (CID 129238388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).