4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;bis(2-(2-bromopropanoyloxy)propyl 2-methylprop-2-enoate);tetrakis(2-(2-methylprop-2-enoyloxy)ethyl 2-bromo-2-methylpropanoate);2-methylprop-2-enoyloxymethyl 2-bromo-2-methylpropanoate;bis(1-(2-methylprop-2-enoyloxy)propan-2-yl 2-bromo-2-methylpropanoate);4-prop-2-enoyloxybutyl 2-bromopropanoate

C113H172Br11NO43 — CID 157167813

IUPAC4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;bis(2-(2-bromopropanoyloxy)propyl 2-methylprop-2-enoate);tetrakis(2-(2-methylprop-2-enoyloxy)ethyl 2-bromo-2-methylpropanoate);2-methylprop-2-enoyloxymethyl 2-bromo-2-methylpropanoate;bis(1-(2-methylprop-2-enoyloxy)propan-2-yl 2-bromo-2-methylpropanoate);4-prop-2-enoyloxybutyl 2-bromopropanoate
SMILESC=C(C)C(=O)OCC(C)OC(=O)C(C)(C)Br.C=C(C)C(=O)OCC(C)OC(=O)C(C)(C)Br.C=C(C)C(=O)OCC(C)OC(=O)C(C)Br.C=C(C)C(=O)OCC(C)OC(=O)C(C)Br.C=C(C)C(=O)OCCCCNC(=O)C(C)(C)Br.C=C(C)C(=O)OCCOC(=O)C(C)(C)Br.C=C(C)C(=O)OCCOC(=O)C(C)(C)Br.C=C(C)C(=O)OCCOC(=O)C(C)(C)Br.C=C(C)C(=O)OCCOC(=O)C(C)(C)Br.C=C(C)C(=O)OCOC(=O)C(C)(C)Br.C=CC(=O)OCCCCOC(=O)C(C)Br
InChIInChI=1S/C12H20BrNO3.2C11H17BrO4.7C10H15BrO4.C9H13BrO4/c1-9(2)10(15)17-8-6-5-7-14-11(16)12(3,4)13;2*1-7(2)9(13)15-6-8(3)16-10(14)11(4,5)12;4*1-7(2)8(12)14-5-6-15-9(13)10(3,4)11;2*1-6(2)9(12)14-5-7(3)15-10(13)8(4)11;1-3-9(12)14-6-4-5-7-15-10(13)8(2)11;1-6(2)7(11)13-5-14-8(12)9(3,4)10/h1,5-8H2,2-4H3,(H,14,16);2*8H,1,6H2,2-5H3;4*1,5-6H2,2-4H3;2*7-8H,1,5H2,2-4H3;3,8H,1,4-7H2,2H3;1,5H2,2-4H3
InChIKeyANCUTLUZDSDYIB-UHFFFAOYSA-N
MW3111.53 g/mol
LogP21.13
Rot. Bonds58

About 4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;bis(2-(2-bromopropanoyloxy)propyl 2-methylprop-2-enoate);tetrakis(2-(2-methylprop-2-enoyloxy)ethyl 2-bromo-2-methylpropanoate);2-methylprop-2-enoyloxymethyl 2-bromo-2-methylpropanoate;bis(1-(2-methylprop-2-enoyloxy)propan-2-yl 2-bromo-2-methylpropanoate);4-prop-2-enoyloxybutyl 2-bromopropanoate

4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;bis(2-(2-bromopropanoyloxy)propyl 2-methylprop-2-enoate);tetrakis(2-(2-methylprop-2-enoyloxy)ethyl 2-bromo-2-methylpropanoate);2-methylprop-2-enoyloxymethyl 2-bromo-2-methylpropanoate;bis(1-(2-methylprop-2-enoyloxy)propan-2-yl 2-bromo-2-methylpropanoate);4-prop-2-enoyloxybutyl 2-bromopropanoate (PubChem CID 157167813) has the molecular formula C113H172Br11NO43 and a molecular weight of 3111.53 g/mol. Its IUPAC name is 4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;bis(2-(2-bromopropanoyloxy)propyl 2-methylprop-2-enoate);tetrakis(2-(2-methylprop-2-enoyloxy)ethyl 2-bromo-2-methylpropanoate);2-methylprop-2-enoyloxymethyl 2-bromo-2-methylpropanoate;bis(1-(2-methylprop-2-enoyloxy)propan-2-yl 2-bromo-2-methylpropanoate);4-prop-2-enoyloxybutyl 2-bromopropanoate.

Molecular Properties

Compound Name4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;bis(2-(2-bromopropanoyloxy)propyl 2-methylprop-2-enoate);tetrakis(2-(2-methylprop-2-enoyloxy)ethyl 2-bromo-2-methylpropanoate);2-methylprop-2-enoyloxymethyl 2-bromo-2-methylpropanoate;bis(1-(2-methylprop-2-enoyloxy)propan-2-yl 2-bromo-2-methylpropanoate);4-prop-2-enoyloxybutyl 2-bromopropanoate
PubChem CID157167813
Molecular FormulaC113H172Br11NO43
Molecular Weight3111.53 g/mol
Exact Mass3099.23
IUPAC Name4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;bis(2-(2-bromopropanoyloxy)propyl 2-methylprop-2-enoate);tetrakis(2-(2-methylprop-2-enoyloxy)ethyl 2-bromo-2-methylpropanoate);2-methylprop-2-enoyloxymethyl 2-bromo-2-methylpropanoate;bis(1-(2-methylprop-2-enoyloxy)propan-2-yl 2-bromo-2-methylpropanoate);4-prop-2-enoyloxybutyl 2-bromopropanoate
SMILESC=C(C)C(=O)OCC(C)OC(=O)C(C)(C)Br.C=C(C)C(=O)OCC(C)OC(=O)C(C)(C)Br.C=C(C)C(=O)OCC(C)OC(=O)C(C)Br.C=C(C)C(=O)OCC(C)OC(=O)C(C)Br.C=C(C)C(=O)OCCCCNC(=O)C(C)(C)Br.C=C(C)C(=O)OCCOC(=O)C(C)(C)Br.C=C(C)C(=O)OCCOC(=O)C(C)(C)Br.C=C(C)C(=O)OCCOC(=O)C(C)(C)Br.C=C(C)C(=O)OCCOC(=O)C(C)(C)Br.C=C(C)C(=O)OCOC(=O)C(C)(C)Br.C=CC(=O)OCCCCOC(=O)C(C)Br
InChIInChI=1S/C12H20BrNO3.2C11H17BrO4.7C10H15BrO4.C9H13BrO4/c1-9(2)10(15)17-8-6-5-7-14-11(16)12(3,4)13;2*1-7(2)9(13)15-6-8(3)16-10(14)11(4,5)12;4*1-7(2)8(12)14-5-6-15-9(13)10(3,4)11;2*1-6(2)9(12)14-5-7(3)15-10(13)8(4)11;1-3-9(12)14-6-4-5-7-15-10(13)8(2)11;1-6(2)7(11)13-5-14-8(12)9(3,4)10/h1,5-8H2,2-4H3,(H,14,16);2*8H,1,6H2,2-5H3;4*1,5-6H2,2-4H3;2*7-8H,1,5H2,2-4H3;3,8H,1,4-7H2,2H3;1,5H2,2-4H3
InChIKeyANCUTLUZDSDYIB-UHFFFAOYSA-N
XLogP21.13
TPSA581.40 Ų
H-Bond Donors1
H-Bond Acceptors43
Rotatable Bonds58
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003111.53
LogP ≤ 521.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;bis(2-(2-bromopropanoyloxy)propyl 2-methylprop-2-enoate);tetrakis(2-(2-methylprop-2-enoyloxy)ethyl 2-bromo-2-methylpropanoate);2-methylprop-2-enoyloxymethyl 2-bromo-2-methylpropanoate;bis(1-(2-methylprop-2-enoyloxy)propan-2-yl 2-bromo-2-methylpropanoate);4-prop-2-enoyloxybutyl 2-bromopropanoate with MolForge

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Related Compounds

bis((3-bromo-3-methyl-2-oxobutyl) 2-methylprop-2-enoate);2-(2-methylprop-2-enoyloxy)ethyl 2-bromo-2-methylpropanoate;6-(2-methylprop-2-enoyloxy)hexyl 2-bromo-2-methylpropanoate;1-(2-methylprop-2-enoyloxy)propan-2-yl 2-bromo-2-methylpropanoate;3-(2-methylprop-2-enoyloxy)propyl 2-bromo-2-methylpropanoate;4-prop-2-enoyloxybutyl 2-bromo-2-methylpropanoate
CID 158048533
1-[1-[1-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl 2-bromo-2-methylpropanoate
CID 58040730
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;9-prop-2-enoyloxynonyl prop-2-enoate
CID 160866067
6-(2-methylprop-2-enoyloxy)hexyl 2-bromo-2-methylpropanoate
CID 59782884
10-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate;10-prop-2-enoyloxydecyl prop-2-enoate;12-prop-2-enoyloxydodecyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162183490
1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl 2-methyl-3-oxo-3-(3-prop-2-enoyloxypropylamino)propanoate
CID 88955036
2-prop-2-enoyloxyethyl 2-bromopropanoate
CID 10131189
[2-methyl-2-(3-oxobutanoylamino)propyl] 2-methylprop-2-enoate;[2-methyl-2-(3-oxobutanoylamino)propyl] prop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 3-oxobutanoate;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate;1-(2-methylprop-2-enoyloxy)propan-2-yl 3-oxobutanoate;3-(2-methylprop-2-enoyloxy)propyl 3-oxobutanoate;4-prop-2-enoyloxybutyl 3-oxobutanoate;2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate;2-prop-2-enoyloxyethyl 3-oxobutanoate;1-prop-2-enoyloxypropan-2-yl 3-oxobutanoate;3-prop-2-enoyloxypropyl 3-oxobutanoate
CID 158151141
N,N-bis[2-(2-bromo-2-methylpropyl)peroxyethyl]-2-methylprop-2-enamide;2,3-bis[(2-bromo-2-methylpropyl)peroxy]propyl 2-methylprop-2-enoate;4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylprop-2-enoate;N-[2-(2-bromo-2-methylpropyl)peroxyethyl]-2-methylprop-2-enamide;[3-(2-bromo-2-methylpropyl)peroxy-2-hydroxypropyl] 2-methylprop-2-enoate;[4-[(2-bromo-2-methylpropyl)peroxymethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl 2-bromo-2-methylpropanoate
CID 158437317
2-(2-methylprop-2-enoyloxy)ethyl 2,2-dimethylbutanoate;2-prop-2-enoyloxyethyl 2,2-dimethylbutanoate
CID 161211037
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;octyl prop-2-enoate
CID 158734607
butyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate
CID 159107941

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;bis(2-(2-bromopropanoyloxy)propyl 2-methylprop-2-enoate);tetrakis(2-(2-methylprop-2-enoyloxy)ethyl 2-bromo-2-methylpropanoate);2-methylprop-2-enoyloxymethyl 2-bromo-2-methylpropanoate;bis(1-(2-methylprop-2-enoyloxy)propan-2-yl 2-bromo-2-methylpropanoate);4-prop-2-enoyloxybutyl 2-bromopropanoate?
The IUPAC name of 4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;bis(2-(2-bromopropanoyloxy)propyl 2-methylprop-2-enoate);tetrakis(2-(2-methylprop-2-enoyloxy)ethyl 2-bromo-2-methylpropanoate);2-methylprop-2-enoyloxymethyl 2-bromo-2-methylpropanoate;bis(1-(2-methylprop-2-enoyloxy)propan-2-yl 2-bromo-2-methylpropanoate);4-prop-2-enoyloxybutyl 2-bromopropanoate (CID 157167813) is 4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;bis(2-(2-bromopropanoyloxy)propyl 2-methylprop-2-enoate);tetrakis(2-(2-methylprop-2-enoyloxy)ethyl 2-bromo-2-methylpropanoate);2-methylprop-2-enoyloxymethyl 2-bromo-2-methylpropanoate;bis(1-(2-methylprop-2-enoyloxy)propan-2-yl 2-bromo-2-methylpropanoate);4-prop-2-enoyloxybutyl 2-bromopropanoate.
What is the SMILES notation for 4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;bis(2-(2-bromopropanoyloxy)propyl 2-methylprop-2-enoate);tetrakis(2-(2-methylprop-2-enoyloxy)ethyl 2-bromo-2-methylpropanoate);2-methylprop-2-enoyloxymethyl 2-bromo-2-methylpropanoate;bis(1-(2-methylprop-2-enoyloxy)propan-2-yl 2-bromo-2-methylpropanoate);4-prop-2-enoyloxybutyl 2-bromopropanoate?
The canonical SMILES for 4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;bis(2-(2-bromopropanoyloxy)propyl 2-methylprop-2-enoate);tetrakis(2-(2-methylprop-2-enoyloxy)ethyl 2-bromo-2-methylpropanoate);2-methylprop-2-enoyloxymethyl 2-bromo-2-methylpropanoate;bis(1-(2-methylprop-2-enoyloxy)propan-2-yl 2-bromo-2-methylpropanoate);4-prop-2-enoyloxybutyl 2-bromopropanoate is C=C(C)C(=O)OCC(C)OC(=O)C(C)(C)Br.C=C(C)C(=O)OCC(C)OC(=O)C(C)(C)Br.C=C(C)C(=O)OCC(C)OC(=O)C(C)Br.C=C(C)C(=O)OCC(C)OC(=O)C(C)Br.C=C(C)C(=O)OCCCCNC(=O)C(C)(C)Br.C=C(C)C(=O)OCCOC(=O)C(C)(C)Br.C=C(C)C(=O)OCCOC(=O)C(C)(C)Br.C=C(C)C(=O)OCCOC(=O)C(C)(C)Br.C=C(C)C(=O)OCCOC(=O)C(C)(C)Br.C=C(C)C(=O)OCOC(=O)C(C)(C)Br.C=CC(=O)OCCCCOC(=O)C(C)Br.
What is the InChIKey of 4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;bis(2-(2-bromopropanoyloxy)propyl 2-methylprop-2-enoate);tetrakis(2-(2-methylprop-2-enoyloxy)ethyl 2-bromo-2-methylpropanoate);2-methylprop-2-enoyloxymethyl 2-bromo-2-methylpropanoate;bis(1-(2-methylprop-2-enoyloxy)propan-2-yl 2-bromo-2-methylpropanoate);4-prop-2-enoyloxybutyl 2-bromopropanoate?
The InChIKey is ANCUTLUZDSDYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO3.2C11H17BrO4.7C10H15BrO4.C9H13BrO4/c1-9(2)10(15)17-8-6-5-7-14-11(16)12(3,4)13;2*1-7(2)9(13)15-6-8(3)16-10(14)11(4,5)12;4*1-7(2)8(12)14-5-6-15-9(13)10(3,4)11;2*1-6(2)9(12)14-5-7(3)15-10(13)8(4)11;1-3-9(12)14-6-4-5-7-15-10(13)8(2)11;1-6(2)7(11)13-5-14-8(12)9(3,4)10/h1,5-8H2,2-4H3,(H,14,16);2*8H,1,6H2,2-5H3;4*1,5-6H2,2-4H3;2*7-8H,1,5H2,2-4H3;3,8H,1,4-7H2,2H3;1,5H2,2-4H3.
What are the key properties of 4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;bis(2-(2-bromopropanoyloxy)propyl 2-methylprop-2-enoate);tetrakis(2-(2-methylprop-2-enoyloxy)ethyl 2-bromo-2-methylpropanoate);2-methylprop-2-enoyloxymethyl 2-bromo-2-methylpropanoate;bis(1-(2-methylprop-2-enoyloxy)propan-2-yl 2-bromo-2-methylpropanoate);4-prop-2-enoyloxybutyl 2-bromopropanoate?
4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;bis(2-(2-bromopropanoyloxy)propyl 2-methylprop-2-enoate);tetrakis(2-(2-methylprop-2-enoyloxy)ethyl 2-bromo-2-methylpropanoate);2-methylprop-2-enoyloxymethyl 2-bromo-2-methylpropanoate;bis(1-(2-methylprop-2-enoyloxy)propan-2-yl 2-bromo-2-methylpropanoate);4-prop-2-enoyloxybutyl 2-bromopropanoate has a molecular weight of 3111.53 g/mol, XLogP of 21.13, 58 rotatable bonds, 1 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;bis(2-(2-bromopropanoyloxy)propyl 2-methylprop-2-enoate);tetrakis(2-(2-methylprop-2-enoyloxy)ethyl 2-bromo-2-methylpropanoate);2-methylprop-2-enoyloxymethyl 2-bromo-2-methylpropanoate;bis(1-(2-methylprop-2-enoyloxy)propan-2-yl 2-bromo-2-methylpropanoate);4-prop-2-enoyloxybutyl 2-bromopropanoate is sourced from PubChem (CID 157167813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).