N-ethenylprop-2-enamide;octakis(ethenyl prop-2-enoate)

C45H55NO17 — CID 160745155

IUPACN-ethenylprop-2-enamide;octakis(ethenyl prop-2-enoate)
SMILESC=CNC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C
InChIInChI=1S/C5H7NO.8C5H6O2/c1-3-5(7)6-4-2;8*1-3-5(6)7-4-2/h3-4H,1-2H2,(H,6,7);8*3-4H,1-2H2
InChIKeyRWCICMWLDLRKSF-UHFFFAOYSA-N
MW881.92 g/mol
LogP7.30
Rot. Bonds18

About N-ethenylprop-2-enamide;octakis(ethenyl prop-2-enoate)

N-ethenylprop-2-enamide;octakis(ethenyl prop-2-enoate) (PubChem CID 160745155) has the molecular formula C45H55NO17 and a molecular weight of 881.92 g/mol. Its IUPAC name is N-ethenylprop-2-enamide;octakis(ethenyl prop-2-enoate).

Molecular Properties

Compound NameN-ethenylprop-2-enamide;octakis(ethenyl prop-2-enoate)
PubChem CID160745155
Molecular FormulaC45H55NO17
Molecular Weight881.92 g/mol
Exact Mass881.35
IUPAC NameN-ethenylprop-2-enamide;octakis(ethenyl prop-2-enoate)
SMILESC=CNC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C
InChIInChI=1S/C5H7NO.8C5H6O2/c1-3-5(7)6-4-2;8*1-3-5(6)7-4-2/h3-4H,1-2H2,(H,6,7);8*3-4H,1-2H2
InChIKeyRWCICMWLDLRKSF-UHFFFAOYSA-N
XLogP7.30
TPSA239.50 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500881.92
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(buta-1,3-dien-2-yl prop-2-enoate);N-ethenylprop-2-enamide;heptakis(ethenyl prop-2-enoate);bis(methyl prop-2-enoate)
CID 165050796
ethenyl prop-2-enoate;urea
CID 146453811
bis(ethenyl) (Z)-but-2-enedioate;ethene
CID 174990906
(2-ethenoxy-2-oxoethyl) prop-2-enoate
CID 18411317
(Z)-3-hydroperoxy-4-(prop-2-enoylamino)but-3-enoic acid
CID 158288044
bis(ethenyl) 2-ethenylbut-2-enedioate
CID 123538046
ethenyl 4-silylbut-2-enoate
CID 174902560
N-[(Z)-prop-1-enyl]prop-2-enamide
CID 89246615
ethenoxyethene;methyl prop-2-enoate
CID 159119515
ethenyl (2E)-penta-2,4-dienoate
CID 87528503
(Z)-N-ethenylbut-2-enamide
CID 121258309
N-formylprop-2-enamide;bis(propan-2-one)
CID 22614021

Frequently Asked Questions

What is the IUPAC name of N-ethenylprop-2-enamide;octakis(ethenyl prop-2-enoate)?
The IUPAC name of N-ethenylprop-2-enamide;octakis(ethenyl prop-2-enoate) (CID 160745155) is N-ethenylprop-2-enamide;octakis(ethenyl prop-2-enoate).
What is the SMILES notation for N-ethenylprop-2-enamide;octakis(ethenyl prop-2-enoate)?
The canonical SMILES for N-ethenylprop-2-enamide;octakis(ethenyl prop-2-enoate) is C=CNC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C.C=COC(=O)C=C.
What is the InChIKey of N-ethenylprop-2-enamide;octakis(ethenyl prop-2-enoate)?
The InChIKey is RWCICMWLDLRKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.8C5H6O2/c1-3-5(7)6-4-2;8*1-3-5(6)7-4-2/h3-4H,1-2H2,(H,6,7);8*3-4H,1-2H2.
What are the key properties of N-ethenylprop-2-enamide;octakis(ethenyl prop-2-enoate)?
N-ethenylprop-2-enamide;octakis(ethenyl prop-2-enoate) has a molecular weight of 881.92 g/mol, XLogP of 7.30, 18 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylprop-2-enamide;octakis(ethenyl prop-2-enoate) is sourced from PubChem (CID 160745155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).