1-[2,2-bis[3-(2-methylprop-2-enoylamino)propoxy]ethyl-(2-methylprop-2-enoyl)amino]ethyl 2-methylprop-2-enoate

C26H41N3O7 — CID 20523715

IUPAC1-[2,2-bis[3-(2-methylprop-2-enoylamino)propoxy]ethyl-(2-methylprop-2-enoyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)NCCCOC(CN(C(=O)C(=C)C)C(C)OC(=O)C(=C)C)OCCCNC(=O)C(=C)C
InChIInChI=1S/C26H41N3O7/c1-17(2)23(30)27-12-10-14-34-22(35-15-11-13-28-24(31)18(3)4)16-29(25(32)19(5)6)21(9)36-26(33)20(7)8/h21-22H,1,3,5,7,10-16H2,2,4,6,8-9H3,(H,27,30)(H,28,31)
InChIKeyWKWCVSSKLBWZGP-UHFFFAOYSA-N
MW507.63 g/mol
LogP2.38
Rot. Bonds18

About 1-[2,2-bis[3-(2-methylprop-2-enoylamino)propoxy]ethyl-(2-methylprop-2-enoyl)amino]ethyl 2-methylprop-2-enoate

1-[2,2-bis[3-(2-methylprop-2-enoylamino)propoxy]ethyl-(2-methylprop-2-enoyl)amino]ethyl 2-methylprop-2-enoate (PubChem CID 20523715) has the molecular formula C26H41N3O7 and a molecular weight of 507.63 g/mol. Its IUPAC name is 1-[2,2-bis[3-(2-methylprop-2-enoylamino)propoxy]ethyl-(2-methylprop-2-enoyl)amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[2,2-bis[3-(2-methylprop-2-enoylamino)propoxy]ethyl-(2-methylprop-2-enoyl)amino]ethyl 2-methylprop-2-enoate
PubChem CID20523715
Molecular FormulaC26H41N3O7
Molecular Weight507.63 g/mol
Exact Mass507.29
IUPAC Name1-[2,2-bis[3-(2-methylprop-2-enoylamino)propoxy]ethyl-(2-methylprop-2-enoyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)NCCCOC(CN(C(=O)C(=C)C)C(C)OC(=O)C(=C)C)OCCCNC(=O)C(=C)C
InChIInChI=1S/C26H41N3O7/c1-17(2)23(30)27-12-10-14-34-22(35-15-11-13-28-24(31)18(3)4)16-29(25(32)19(5)6)21(9)36-26(33)20(7)8/h21-22H,1,3,5,7,10-16H2,2,4,6,8-9H3,(H,27,30)(H,28,31)
InChIKeyWKWCVSSKLBWZGP-UHFFFAOYSA-N
XLogP2.38
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.63
LogP ≤ 52.38
H-Bond Donors ≤ 52
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 1-[2,2-bis[3-(2-methylprop-2-enoylamino)propoxy]ethyl-(2-methylprop-2-enoyl)amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-[2,2-bis[3-(2-methylprop-2-enoylamino)propoxy]ethyl-(2-methylprop-2-enoyl)amino]ethyl 2-methylprop-2-enoate (CID 20523715) is 1-[2,2-bis[3-(2-methylprop-2-enoylamino)propoxy]ethyl-(2-methylprop-2-enoyl)amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[2,2-bis[3-(2-methylprop-2-enoylamino)propoxy]ethyl-(2-methylprop-2-enoyl)amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-[2,2-bis[3-(2-methylprop-2-enoylamino)propoxy]ethyl-(2-methylprop-2-enoyl)amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)NCCCOC(CN(C(=O)C(=C)C)C(C)OC(=O)C(=C)C)OCCCNC(=O)C(=C)C.
What is the InChIKey of 1-[2,2-bis[3-(2-methylprop-2-enoylamino)propoxy]ethyl-(2-methylprop-2-enoyl)amino]ethyl 2-methylprop-2-enoate?
The InChIKey is WKWCVSSKLBWZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O7/c1-17(2)23(30)27-12-10-14-34-22(35-15-11-13-28-24(31)18(3)4)16-29(25(32)19(5)6)21(9)36-26(33)20(7)8/h21-22H,1,3,5,7,10-16H2,2,4,6,8-9H3,(H,27,30)(H,28,31).
What are the key properties of 1-[2,2-bis[3-(2-methylprop-2-enoylamino)propoxy]ethyl-(2-methylprop-2-enoyl)amino]ethyl 2-methylprop-2-enoate?
1-[2,2-bis[3-(2-methylprop-2-enoylamino)propoxy]ethyl-(2-methylprop-2-enoyl)amino]ethyl 2-methylprop-2-enoate has a molecular weight of 507.63 g/mol, XLogP of 2.38, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis[3-(2-methylprop-2-enoylamino)propoxy]ethyl-(2-methylprop-2-enoyl)amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 20523715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).