2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate

C13H20N2O5 — CID 87356884

IUPAC2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCO.C=C(CC(=C)C(N)=O)C(N)=O
InChIInChI=1S/C7H10N2O2.C6H10O3/c1-4(6(8)10)3-5(2)7(9)11;1-5(2)6(8)9-4-3-7/h1-3H2,(H2,8,10)(H2,9,11);7H,1,3-4H2,2H3
InChIKeyIBYKRSHISABZHF-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.44
Rot. Bonds7

About 2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate

2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate (PubChem CID 87356884) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate
PubChem CID87356884
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCO.C=C(CC(=C)C(N)=O)C(N)=O
InChIInChI=1S/C7H10N2O2.C6H10O3/c1-4(6(8)10)3-5(2)7(9)11;1-5(2)6(8)9-4-3-7/h1-3H2,(H2,8,10)(H2,9,11);7H,1,3-4H2,2H3
InChIKeyIBYKRSHISABZHF-UHFFFAOYSA-N
XLogP-0.44
TPSA132.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625
2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
CID 173395322
2-hydroxyethyl 2-methylprop-2-enoate sulfate
CID 20566074
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089
2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol
CID 174925229
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 173303498
2-buta-1,3-dien-2-yloxyethanol;2-hydroxyethyl 2-methylprop-2-enoate
CID 163613282
ethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 174621841
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate (CID 87356884) is 2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCO.C=C(CC(=C)C(N)=O)C(N)=O.
What is the InChIKey of 2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate?
The InChIKey is IBYKRSHISABZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.C6H10O3/c1-4(6(8)10)3-5(2)7(9)11;1-5(2)6(8)9-4-3-7/h1-3H2,(H2,8,10)(H2,9,11);7H,1,3-4H2,2H3.
What are the key properties of 2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate?
2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate has a molecular weight of 284.31 g/mol, XLogP of -0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87356884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).