2,2-bis(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate;N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide

C21H33N3O7 — CID 88827636

IUPAC2,2-bis(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate;N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NC(COC(=O)C(=C)C)NC(=O)C(=C)C.C=CC(=O)NCCOCCO
InChIInChI=1S/C14H20N2O4.C7H13NO3/c1-8(2)12(17)15-11(16-13(18)9(3)4)7-20-14(19)10(5)6;1-2-7(10)8-3-5-11-6-4-9/h11H,1,3,5,7H2,2,4,6H3,(H,15,17)(H,16,18);2,9H,1,3-6H2,(H,8,10)
InChIKeyJVAVLEWIZDRISN-UHFFFAOYSA-N
MW439.51 g/mol
LogP0.11
Rot. Bonds13

About 2,2-bis(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate;N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide

2,2-bis(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate;N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide (PubChem CID 88827636) has the molecular formula C21H33N3O7 and a molecular weight of 439.51 g/mol. Its IUPAC name is 2,2-bis(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate;N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound Name2,2-bis(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate;N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide
PubChem CID88827636
Molecular FormulaC21H33N3O7
Molecular Weight439.51 g/mol
Exact Mass439.23
IUPAC Name2,2-bis(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate;N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NC(COC(=O)C(=C)C)NC(=O)C(=C)C.C=CC(=O)NCCOCCO
InChIInChI=1S/C14H20N2O4.C7H13NO3/c1-8(2)12(17)15-11(16-13(18)9(3)4)7-20-14(19)10(5)6;1-2-7(10)8-3-5-11-6-4-9/h11H,1,3,5,7H2,2,4,6H3,(H,15,17)(H,16,18);2,9H,1,3-6H2,(H,8,10)
InChIKeyJVAVLEWIZDRISN-UHFFFAOYSA-N
XLogP0.11
TPSA143.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate;N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide?
The IUPAC name of 2,2-bis(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate;N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide (CID 88827636) is 2,2-bis(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate;N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide.
What is the SMILES notation for 2,2-bis(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate;N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide?
The canonical SMILES for 2,2-bis(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate;N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide is C=C(C)C(=O)NC(COC(=O)C(=C)C)NC(=O)C(=C)C.C=CC(=O)NCCOCCO.
What is the InChIKey of 2,2-bis(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate;N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide?
The InChIKey is JVAVLEWIZDRISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4.C7H13NO3/c1-8(2)12(17)15-11(16-13(18)9(3)4)7-20-14(19)10(5)6;1-2-7(10)8-3-5-11-6-4-9/h11H,1,3,5,7H2,2,4,6H3,(H,15,17)(H,16,18);2,9H,1,3-6H2,(H,8,10).
What are the key properties of 2,2-bis(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate;N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide?
2,2-bis(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate;N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide has a molecular weight of 439.51 g/mol, XLogP of 0.11, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate;N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 88827636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).