dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]azanium

C19H32N3O8+ — CID 123873336

IUPACdimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]azanium
SMILESC=CC(=O)OCCNC(=O)OCC[N+](C)(C)CCOC(=O)NCCOC(=O)C(=C)C
InChIInChI=1S/C19H31N3O8/c1-6-16(23)27-11-7-20-18(25)29-13-9-22(4,5)10-14-30-19(26)21-8-12-28-17(24)15(2)3/h6H,1-2,7-14H2,3-5H3,(H-,20,21,25,26)/p+1
InChIKeyZPAYJEFCOVANOP-UHFFFAOYSA-O
MW430.48 g/mol
LogP0.36
Rot. Bonds14

About dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]azanium

dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]azanium (PubChem CID 123873336) has the molecular formula C19H32N3O8+ and a molecular weight of 430.48 g/mol. Its IUPAC name is dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]azanium
PubChem CID123873336
Molecular FormulaC19H32N3O8+
Molecular Weight430.48 g/mol
Exact Mass430.22
IUPAC Namedimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]azanium
SMILESC=CC(=O)OCCNC(=O)OCC[N+](C)(C)CCOC(=O)NCCOC(=O)C(=C)C
InChIInChI=1S/C19H31N3O8/c1-6-16(23)27-11-7-20-18(25)29-13-9-22(4,5)10-14-30-19(26)21-8-12-28-17(24)15(2)3/h6H,1-2,7-14H2,3-5H3,(H-,20,21,25,26)/p+1
InChIKeyZPAYJEFCOVANOP-UHFFFAOYSA-O
XLogP0.36
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propyl]silyl]oxy-dimethylsilyl]propylcarbamoyloxy]ethyl 2-methylprop-2-enoate;2-[3-[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl]silyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;3-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;2-[3-[[dimethyl-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propyl]silyl]oxy-dimethylsilyl]propylcarbamoyloxy]ethyl prop-2-enoate;2-[3-[[dimethyl-[3-(2-prop-2-enoyloxyethylcarbamoyloxy)propyl]silyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl prop-2-enoate;3-[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy-dimethylsilyl]propyl prop-2-enoate;methane
CID 158930932
butyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate
CID 159107941
2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 89172590
tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate)
CID 160716553
3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
CID 88965929
2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 167060925
ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 87802810
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 160886159
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 159354100
bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)
CID 160660181
4-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-(2-prop-2-enoyloxyethyl) (E)-but-2-enedioate
CID 178063715
2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate
CID 91094626

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]azanium?
The IUPAC name of dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]azanium (CID 123873336) is dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]azanium.
What is the SMILES notation for dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]azanium?
The canonical SMILES for dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]azanium is C=CC(=O)OCCNC(=O)OCC[N+](C)(C)CCOC(=O)NCCOC(=O)C(=C)C.
What is the InChIKey of dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]azanium?
The InChIKey is ZPAYJEFCOVANOP-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H31N3O8/c1-6-16(23)27-11-7-20-18(25)29-13-9-22(4,5)10-14-30-19(26)21-8-12-28-17(24)15(2)3/h6H,1-2,7-14H2,3-5H3,(H-,20,21,25,26)/p+1.
What are the key properties of dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]azanium?
dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]azanium has a molecular weight of 430.48 g/mol, XLogP of 0.36, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]azanium is sourced from PubChem (CID 123873336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).