butyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-ethylhexyl 3-[prop-2-enoyl(propyl)amino]propanoate;ethyl 3-[prop-2-enoyl(propyl)amino]propanoate;hexyl 3-[prop-2-enoyl(propyl)amino]propanoate;methyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate;propan-2-yl 3-[prop-2-enoyl(propyl)amino]propanoate;propyl 3-[prop-2-enoyl(propyl)amino]propanoate

C103H182N8O24 — CID 161029299

IUPACbutyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-ethylhexyl 3-[prop-2-enoyl(propyl)amino]propanoate;ethyl 3-[prop-2-enoyl(propyl)amino]propanoate;hexyl 3-[prop-2-enoyl(propyl)amino]propanoate;methyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate;propan-2-yl 3-[prop-2-enoyl(propyl)amino]propanoate;propyl 3-[prop-2-enoyl(propyl)amino]propanoate
SMILESC=CC(=O)N(CCC)CCC(=O)OC.C=CC(=O)N(CCC)CCC(=O)OC(C)C.C=CC(=O)N(CCC)CCC(=O)OCC.C=CC(=O)N(CCC)CCC(=O)OCC(C)C.C=CC(=O)N(CCC)CCC(=O)OCC(CC)CCCC.C=CC(=O)N(CCC)CCC(=O)OCCC.C=CC(=O)N(CCC)CCC(=O)OCCCC.C=CC(=O)N(CCC)CCC(=O)OCCCCCC
InChIInChI=1S/C17H31NO3.C15H27NO3.2C13H23NO3.2C12H21NO3.C11H19NO3.C10H17NO3/c1-5-9-10-15(7-3)14-21-17(20)11-13-18(12-6-2)16(19)8-4;1-4-7-8-9-13-19-15(18)10-12-16(11-5-2)14(17)6-3;1-5-8-14(12(15)6-2)9-7-13(16)17-10-11(3)4;1-4-7-11-17-13(16)8-10-14(9-5-2)12(15)6-3;1-5-8-13(11(14)6-2)9-7-12(15)16-10(3)4;1-4-8-13(11(14)6-3)9-7-12(15)16-10-5-2;1-4-8-12(10(13)5-2)9-7-11(14)15-6-3;1-4-7-11(9(12)5-2)8-6-10(13)14-3/h8,15H,4-7,9-14H2,1-3H3;6H,3-5,7-13H2,1-2H3;6,11H,2,5,7-10H2,1,3-4H3;6H,3-5,7-11H2,1-2H3;6,10H,2,5,7-9H2,1,3-4H3;6H,3-5,7-10H2,1-2H3;5H,2,4,6-9H2,1,3H3;5H,2,4,6-8H2,1,3H3
InChIKeyTZJVKUKYLPMOSU-UHFFFAOYSA-N
MW1916.62 g/mol
LogP16.48
Rot. Bonds68

About butyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-ethylhexyl 3-[prop-2-enoyl(propyl)amino]propanoate;ethyl 3-[prop-2-enoyl(propyl)amino]propanoate;hexyl 3-[prop-2-enoyl(propyl)amino]propanoate;methyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate;propan-2-yl 3-[prop-2-enoyl(propyl)amino]propanoate;propyl 3-[prop-2-enoyl(propyl)amino]propanoate

butyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-ethylhexyl 3-[prop-2-enoyl(propyl)amino]propanoate;ethyl 3-[prop-2-enoyl(propyl)amino]propanoate;hexyl 3-[prop-2-enoyl(propyl)amino]propanoate;methyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate;propan-2-yl 3-[prop-2-enoyl(propyl)amino]propanoate;propyl 3-[prop-2-enoyl(propyl)amino]propanoate (PubChem CID 161029299) has the molecular formula C103H182N8O24 and a molecular weight of 1916.62 g/mol. Its IUPAC name is butyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-ethylhexyl 3-[prop-2-enoyl(propyl)amino]propanoate;ethyl 3-[prop-2-enoyl(propyl)amino]propanoate;hexyl 3-[prop-2-enoyl(propyl)amino]propanoate;methyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate;propan-2-yl 3-[prop-2-enoyl(propyl)amino]propanoate;propyl 3-[prop-2-enoyl(propyl)amino]propanoate.

Molecular Properties

Compound Namebutyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-ethylhexyl 3-[prop-2-enoyl(propyl)amino]propanoate;ethyl 3-[prop-2-enoyl(propyl)amino]propanoate;hexyl 3-[prop-2-enoyl(propyl)amino]propanoate;methyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate;propan-2-yl 3-[prop-2-enoyl(propyl)amino]propanoate;propyl 3-[prop-2-enoyl(propyl)amino]propanoate
PubChem CID161029299
Molecular FormulaC103H182N8O24
Molecular Weight1916.62 g/mol
Exact Mass1915.33
IUPAC Namebutyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-ethylhexyl 3-[prop-2-enoyl(propyl)amino]propanoate;ethyl 3-[prop-2-enoyl(propyl)amino]propanoate;hexyl 3-[prop-2-enoyl(propyl)amino]propanoate;methyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate;propan-2-yl 3-[prop-2-enoyl(propyl)amino]propanoate;propyl 3-[prop-2-enoyl(propyl)amino]propanoate
SMILESC=CC(=O)N(CCC)CCC(=O)OC.C=CC(=O)N(CCC)CCC(=O)OC(C)C.C=CC(=O)N(CCC)CCC(=O)OCC.C=CC(=O)N(CCC)CCC(=O)OCC(C)C.C=CC(=O)N(CCC)CCC(=O)OCC(CC)CCCC.C=CC(=O)N(CCC)CCC(=O)OCCC.C=CC(=O)N(CCC)CCC(=O)OCCCC.C=CC(=O)N(CCC)CCC(=O)OCCCCCC
InChIInChI=1S/C17H31NO3.C15H27NO3.2C13H23NO3.2C12H21NO3.C11H19NO3.C10H17NO3/c1-5-9-10-15(7-3)14-21-17(20)11-13-18(12-6-2)16(19)8-4;1-4-7-8-9-13-19-15(18)10-12-16(11-5-2)14(17)6-3;1-5-8-14(12(15)6-2)9-7-13(16)17-10-11(3)4;1-4-7-11-17-13(16)8-10-14(9-5-2)12(15)6-3;1-5-8-13(11(14)6-2)9-7-12(15)16-10(3)4;1-4-8-13(11(14)6-3)9-7-12(15)16-10-5-2;1-4-8-12(10(13)5-2)9-7-11(14)15-6-3;1-4-7-11(9(12)5-2)8-6-10(13)14-3/h8,15H,4-7,9-14H2,1-3H3;6H,3-5,7-13H2,1-2H3;6,11H,2,5,7-10H2,1,3-4H3;6H,3-5,7-11H2,1-2H3;6,10H,2,5,7-9H2,1,3-4H3;6H,3-5,7-10H2,1-2H3;5H,2,4,6-9H2,1,3H3;5H,2,4,6-8H2,1,3H3
InChIKeyTZJVKUKYLPMOSU-UHFFFAOYSA-N
XLogP16.48
TPSA372.88 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds68
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001916.62
LogP ≤ 516.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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'}

Analyze butyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-ethylhexyl 3-[prop-2-enoyl(propyl)amino]propanoate;ethyl 3-[prop-2-enoyl(propyl)amino]propanoate;hexyl 3-[prop-2-enoyl(propyl)amino]propanoate;methyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate;propan-2-yl 3-[prop-2-enoyl(propyl)amino]propanoate;propyl 3-[prop-2-enoyl(propyl)amino]propanoate with MolForge

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Related Compounds

butyl 3-[propan-2-yl(prop-2-enoyl)amino]propanoate;2-ethylhexyl 3-[propan-2-yl(prop-2-enoyl)amino]propanoate;ethyl 3-[propan-2-yl(prop-2-enoyl)amino]propanoate;hexyl 3-[propan-2-yl(prop-2-enoyl)amino]propanoate;methyl 3-[propan-2-yl(prop-2-enoyl)amino]propanoate;2-methylpropyl 3-[propan-2-yl(prop-2-enoyl)amino]propanoate;propan-2-yl 3-[propan-2-yl(prop-2-enoyl)amino]propanoate;propyl 3-[propan-2-yl(prop-2-enoyl)amino]propanoate
CID 159900932
2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 134486343
butyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 134486342
hexyl 3-[butyl(prop-2-enoyl)amino]propanoate
CID 134486285
butyl 1-prop-2-enoylpiperidine-4-carboxylate;2-ethylhexyl 1-prop-2-enoylpiperidine-4-carboxylate;ethyl 1-prop-2-enoylpiperidine-4-carboxylate;hexyl 1-prop-2-enoylpiperidine-4-carboxylate;methyl 1-prop-2-enoylpiperidine-4-carboxylate;2-methylpropyl 1-prop-2-enoylpiperidine-4-carboxylate;propan-2-yl 1-prop-2-enoylpiperidine-4-carboxylate;propyl 1-prop-2-enoylpiperidine-4-carboxylate
CID 159462915
1-O-dodecyl 5-O-(2-ethylhexyl) pentanedioate
CID 91707746
bis(2-ethylhexyl) decanedioate;dinonyl hexanedioate
CID 23616703
7-O-(2-ethylhexyl) 1-O-tetradecyl heptanedioate
CID 91717937
6-O-(2-ethylhexyl) 1-O-tetradecyl hexanedioate
CID 91713297
7-O-(2-ethylhexyl) 1-O-(2-methylpropyl) heptanedioate
CID 91718206
[6-[5-(2-ethylhexoxy)-5-oxopentoxy]-6-oxohexyl] 6-methylheptanoate
CID 153294113
2-ethylhexyl 4-[methyl(prop-2-enoyl)amino]butanoate
CID 134486280

Frequently Asked Questions

What is the IUPAC name of butyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-ethylhexyl 3-[prop-2-enoyl(propyl)amino]propanoate;ethyl 3-[prop-2-enoyl(propyl)amino]propanoate;hexyl 3-[prop-2-enoyl(propyl)amino]propanoate;methyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate;propan-2-yl 3-[prop-2-enoyl(propyl)amino]propanoate;propyl 3-[prop-2-enoyl(propyl)amino]propanoate?
The IUPAC name of butyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-ethylhexyl 3-[prop-2-enoyl(propyl)amino]propanoate;ethyl 3-[prop-2-enoyl(propyl)amino]propanoate;hexyl 3-[prop-2-enoyl(propyl)amino]propanoate;methyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate;propan-2-yl 3-[prop-2-enoyl(propyl)amino]propanoate;propyl 3-[prop-2-enoyl(propyl)amino]propanoate (CID 161029299) is butyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-ethylhexyl 3-[prop-2-enoyl(propyl)amino]propanoate;ethyl 3-[prop-2-enoyl(propyl)amino]propanoate;hexyl 3-[prop-2-enoyl(propyl)amino]propanoate;methyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate;propan-2-yl 3-[prop-2-enoyl(propyl)amino]propanoate;propyl 3-[prop-2-enoyl(propyl)amino]propanoate.
What is the SMILES notation for butyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-ethylhexyl 3-[prop-2-enoyl(propyl)amino]propanoate;ethyl 3-[prop-2-enoyl(propyl)amino]propanoate;hexyl 3-[prop-2-enoyl(propyl)amino]propanoate;methyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate;propan-2-yl 3-[prop-2-enoyl(propyl)amino]propanoate;propyl 3-[prop-2-enoyl(propyl)amino]propanoate?
The canonical SMILES for butyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-ethylhexyl 3-[prop-2-enoyl(propyl)amino]propanoate;ethyl 3-[prop-2-enoyl(propyl)amino]propanoate;hexyl 3-[prop-2-enoyl(propyl)amino]propanoate;methyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate;propan-2-yl 3-[prop-2-enoyl(propyl)amino]propanoate;propyl 3-[prop-2-enoyl(propyl)amino]propanoate is C=CC(=O)N(CCC)CCC(=O)OC.C=CC(=O)N(CCC)CCC(=O)OC(C)C.C=CC(=O)N(CCC)CCC(=O)OCC.C=CC(=O)N(CCC)CCC(=O)OCC(C)C.C=CC(=O)N(CCC)CCC(=O)OCC(CC)CCCC.C=CC(=O)N(CCC)CCC(=O)OCCC.C=CC(=O)N(CCC)CCC(=O)OCCCC.C=CC(=O)N(CCC)CCC(=O)OCCCCCC.
What is the InChIKey of butyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-ethylhexyl 3-[prop-2-enoyl(propyl)amino]propanoate;ethyl 3-[prop-2-enoyl(propyl)amino]propanoate;hexyl 3-[prop-2-enoyl(propyl)amino]propanoate;methyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate;propan-2-yl 3-[prop-2-enoyl(propyl)amino]propanoate;propyl 3-[prop-2-enoyl(propyl)amino]propanoate?
The InChIKey is TZJVKUKYLPMOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3.C15H27NO3.2C13H23NO3.2C12H21NO3.C11H19NO3.C10H17NO3/c1-5-9-10-15(7-3)14-21-17(20)11-13-18(12-6-2)16(19)8-4;1-4-7-8-9-13-19-15(18)10-12-16(11-5-2)14(17)6-3;1-5-8-14(12(15)6-2)9-7-13(16)17-10-11(3)4;1-4-7-11-17-13(16)8-10-14(9-5-2)12(15)6-3;1-5-8-13(11(14)6-2)9-7-12(15)16-10(3)4;1-4-8-13(11(14)6-3)9-7-12(15)16-10-5-2;1-4-8-12(10(13)5-2)9-7-11(14)15-6-3;1-4-7-11(9(12)5-2)8-6-10(13)14-3/h8,15H,4-7,9-14H2,1-3H3;6H,3-5,7-13H2,1-2H3;6,11H,2,5,7-10H2,1,3-4H3;6H,3-5,7-11H2,1-2H3;6,10H,2,5,7-9H2,1,3-4H3;6H,3-5,7-10H2,1-2H3;5H,2,4,6-9H2,1,3H3;5H,2,4,6-8H2,1,3H3.
What are the key properties of butyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-ethylhexyl 3-[prop-2-enoyl(propyl)amino]propanoate;ethyl 3-[prop-2-enoyl(propyl)amino]propanoate;hexyl 3-[prop-2-enoyl(propyl)amino]propanoate;methyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate;propan-2-yl 3-[prop-2-enoyl(propyl)amino]propanoate;propyl 3-[prop-2-enoyl(propyl)amino]propanoate?
butyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-ethylhexyl 3-[prop-2-enoyl(propyl)amino]propanoate;ethyl 3-[prop-2-enoyl(propyl)amino]propanoate;hexyl 3-[prop-2-enoyl(propyl)amino]propanoate;methyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate;propan-2-yl 3-[prop-2-enoyl(propyl)amino]propanoate;propyl 3-[prop-2-enoyl(propyl)amino]propanoate has a molecular weight of 1916.62 g/mol, XLogP of 16.48, 68 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-ethylhexyl 3-[prop-2-enoyl(propyl)amino]propanoate;ethyl 3-[prop-2-enoyl(propyl)amino]propanoate;hexyl 3-[prop-2-enoyl(propyl)amino]propanoate;methyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate;propan-2-yl 3-[prop-2-enoyl(propyl)amino]propanoate;propyl 3-[prop-2-enoyl(propyl)amino]propanoate is sourced from PubChem (CID 161029299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).