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

C18H32N2O5 — CID 11717387

IUPAC2-methyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCOCCOCCOCCCNC(=O)C(=C)C
InChIInChI=1S/C18H32N2O5/c1-15(2)17(21)19-7-5-9-23-11-13-25-14-12-24-10-6-8-20-18(22)16(3)4/h1,3,5-14H2,2,4H3,(H,19,21)(H,20,22)
InChIKeyJWEAHDNWWHDDCD-UHFFFAOYSA-N
MW356.46 g/mol
LogP1.20
Rot. Bonds16

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

2-methyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide (PubChem CID 11717387) has the molecular formula C18H32N2O5 and a molecular weight of 356.46 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide
PubChem CID11717387
Molecular FormulaC18H32N2O5
Molecular Weight356.46 g/mol
Exact Mass356.23
IUPAC Name2-methyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCOCCOCCOCCCNC(=O)C(=C)C
InChIInChI=1S/C18H32N2O5/c1-15(2)17(21)19-7-5-9-23-11-13-25-14-12-24-10-6-8-20-18(22)16(3)4/h1,3,5-14H2,2,4H3,(H,19,21)(H,20,22)
InChIKeyJWEAHDNWWHDDCD-UHFFFAOYSA-N
XLogP1.20
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide (CID 11717387) is 2-methyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide is C=C(C)C(=O)NCCCOCCOCCOCCCNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide?
The InChIKey is JWEAHDNWWHDDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O5/c1-15(2)17(21)19-7-5-9-23-11-13-25-14-12-24-10-6-8-20-18(22)16(3)4/h1,3,5-14H2,2,4H3,(H,19,21)(H,20,22).
What are the key properties of 2-methyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide?
2-methyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide has a molecular weight of 356.46 g/mol, XLogP of 1.20, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide is sourced from PubChem (CID 11717387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).