butyl 2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethylamino]prop-2-enoate;styrene

C22H31NO4 — CID 70478930

IUPACbutyl 2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethylamino]prop-2-enoate;styrene
SMILESC=C(C)C(=O)OCCNC=C(C)C(=O)OCCCC.C=Cc1ccccc1
InChIInChI=1S/C14H23NO4.C8H8/c1-5-6-8-18-14(17)12(4)10-15-7-9-19-13(16)11(2)3;1-2-8-6-4-3-5-7-8/h10,15H,2,5-9H2,1,3-4H3;2-7H,1H2
InChIKeyGFMJCMXIKHWITK-UHFFFAOYSA-N
MW373.49 g/mol
LogP4.27
Rot. Bonds10

About butyl 2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethylamino]prop-2-enoate;styrene

butyl 2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethylamino]prop-2-enoate;styrene (PubChem CID 70478930) has the molecular formula C22H31NO4 and a molecular weight of 373.49 g/mol. Its IUPAC name is butyl 2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethylamino]prop-2-enoate;styrene.

Molecular Properties

Compound Namebutyl 2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethylamino]prop-2-enoate;styrene
PubChem CID70478930
Molecular FormulaC22H31NO4
Molecular Weight373.49 g/mol
Exact Mass373.23
IUPAC Namebutyl 2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethylamino]prop-2-enoate;styrene
SMILESC=C(C)C(=O)OCCNC=C(C)C(=O)OCCCC.C=Cc1ccccc1
InChIInChI=1S/C14H23NO4.C8H8/c1-5-6-8-18-14(17)12(4)10-15-7-9-19-13(16)11(2)3;1-2-8-6-4-3-5-7-8/h10,15H,2,5-9H2,1,3-4H3;2-7H,1H2
InChIKeyGFMJCMXIKHWITK-UHFFFAOYSA-N
XLogP4.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene
CID 70469548
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;3-hydroxypropyl prop-2-enoate;prop-2-enoic acid;styrene
CID 158235097
butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene
CID 66750102
5-butoxycarbonyl-2-methylhexa-2,5-dienoic acid;styrene
CID 69444010
butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene
CID 174489864
4-butoxycarbonyl-2-methylpenta-2,4-dienoic acid;prop-2-enoic acid;styrene
CID 87703422
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enamide;styrene
CID 160851195
butyl prop-2-enoate;styrene
CID 68545727
dibutyl but-2-enedioate;styrene
CID 70528436
bis(butyl prop-2-enoate);styrene
CID 175337841
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-morpholin-4-ylethyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;styrene;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 170851585
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;3-hydroxypropyl prop-2-enoate;styrene;2,4,4-trimethylpent-1-ene
CID 131724292

Frequently Asked Questions

What is the IUPAC name of butyl 2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethylamino]prop-2-enoate;styrene?
The IUPAC name of butyl 2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethylamino]prop-2-enoate;styrene (CID 70478930) is butyl 2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethylamino]prop-2-enoate;styrene.
What is the SMILES notation for butyl 2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethylamino]prop-2-enoate;styrene?
The canonical SMILES for butyl 2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethylamino]prop-2-enoate;styrene is C=C(C)C(=O)OCCNC=C(C)C(=O)OCCCC.C=Cc1ccccc1.
What is the InChIKey of butyl 2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethylamino]prop-2-enoate;styrene?
The InChIKey is GFMJCMXIKHWITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4.C8H8/c1-5-6-8-18-14(17)12(4)10-15-7-9-19-13(16)11(2)3;1-2-8-6-4-3-5-7-8/h10,15H,2,5-9H2,1,3-4H3;2-7H,1H2.
What are the key properties of butyl 2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethylamino]prop-2-enoate;styrene?
butyl 2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethylamino]prop-2-enoate;styrene has a molecular weight of 373.49 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethylamino]prop-2-enoate;styrene is sourced from PubChem (CID 70478930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).