2-methyl-N-[2-methyl-3-[3-methyl-4-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]butan-2-yl]oxypropyl]prop-2-enamide

C20H36N2O4 — CID 139442661

IUPAC2-methyl-N-[2-methyl-3-[3-methyl-4-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]butan-2-yl]oxypropyl]prop-2-enamide
SMILESC=C(C)C(=O)NCC(C)COC(C)C(C)COC(C)CNC(=O)C(=C)C
InChIInChI=1S/C20H36N2O4/c1-13(2)19(23)21-9-15(5)11-26-18(8)16(6)12-25-17(7)10-22-20(24)14(3)4/h15-18H,1,3,9-12H2,2,4-8H3,(H,21,23)(H,22,24)
InChIKeyKDSSLVVKBGLXFR-UHFFFAOYSA-N
MW368.52 g/mol
LogP2.45
Rot. Bonds13

About 2-methyl-N-[2-methyl-3-[3-methyl-4-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]butan-2-yl]oxypropyl]prop-2-enamide

2-methyl-N-[2-methyl-3-[3-methyl-4-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]butan-2-yl]oxypropyl]prop-2-enamide (PubChem CID 139442661) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-3-[3-methyl-4-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]butan-2-yl]oxypropyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-3-[3-methyl-4-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]butan-2-yl]oxypropyl]prop-2-enamide
PubChem CID139442661
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Name2-methyl-N-[2-methyl-3-[3-methyl-4-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]butan-2-yl]oxypropyl]prop-2-enamide
SMILESC=C(C)C(=O)NCC(C)COC(C)C(C)COC(C)CNC(=O)C(=C)C
InChIInChI=1S/C20H36N2O4/c1-13(2)19(23)21-9-15(5)11-26-18(8)16(6)12-25-17(7)10-22-20(24)14(3)4/h15-18H,1,3,9-12H2,2,4-8H3,(H,21,23)(H,22,24)
InChIKeyKDSSLVVKBGLXFR-UHFFFAOYSA-N
XLogP2.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[2-methyl-3-[3-methyl-4-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]butan-2-yl]oxypropyl]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-[3-(2,6-dimethyl-5-oxohept-6-enoxy)-2-methylbutoxy]propyl]-2-methylprop-2-enamide
CID 158917743
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-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
CID 129238388
[2-methyl-3-(2-methylprop-2-enoylamino)propyl] methanesulfonate
CID 87327562
trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium
CID 87943190
bis[2-[2-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]-2-oxoethoxy]-2-oxoethyl] butanedioate
CID 101377357
N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 159380399
1-(2-methylprop-2-enoylamino)propan-2-yl benzoate
CID 152756749
hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 87755917
1-hydroxy-2-(2-methylprop-2-enoylamino)ethanesulfonic acid
CID 54533259
potassium 2-methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate
CID 138705740
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-[3-methyl-4-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]butan-2-yl]oxypropyl]prop-2-enamide?
The IUPAC name of 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) is 2-methyl-N-[2-methyl-3-[3-methyl-4-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]butan-2-yl]oxypropyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-3-[3-methyl-4-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]butan-2-yl]oxypropyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-methyl-3-[3-methyl-4-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]butan-2-yl]oxypropyl]prop-2-enamide is C=C(C)C(=O)NCC(C)COC(C)C(C)COC(C)CNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[2-methyl-3-[3-methyl-4-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]butan-2-yl]oxypropyl]prop-2-enamide?
The InChIKey is KDSSLVVKBGLXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-13(2)19(23)21-9-15(5)11-26-18(8)16(6)12-25-17(7)10-22-20(24)14(3)4/h15-18H,1,3,9-12H2,2,4-8H3,(H,21,23)(H,22,24).
What are the key properties of 2-methyl-N-[2-methyl-3-[3-methyl-4-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]butan-2-yl]oxypropyl]prop-2-enamide?
2-methyl-N-[2-methyl-3-[3-methyl-4-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]butan-2-yl]oxypropyl]prop-2-enamide has a molecular weight of 368.52 g/mol, XLogP of 2.45, 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-[3-methyl-4-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]butan-2-yl]oxypropyl]prop-2-enamide is sourced from PubChem (CID 139442661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).