2-[2-[5-[[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate

C24H38N2O8 — CID 134238609

IUPAC2-[2-[5-[[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)NCCC1CC2CC1CC2CNC(=O)OCCOC(O)C(=C)C
InChIInChI=1S/C24H38N2O8/c1-15(2)21(27)31-7-9-33-23(29)25-6-5-17-11-19-12-18(17)13-20(19)14-26-24(30)34-10-8-32-22(28)16(3)4/h17-20,22,28H,1,3,5-14H2,2,4H3,(H,25,29)(H,26,30)
InChIKeyIPOACEWGMNPCBT-UHFFFAOYSA-N
MW482.57 g/mol
LogP2.52
Rot. Bonds14

About 2-[2-[5-[[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate

2-[2-[5-[[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate (PubChem CID 134238609) has the molecular formula C24H38N2O8 and a molecular weight of 482.57 g/mol. Its IUPAC name is 2-[2-[5-[[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[5-[[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate
PubChem CID134238609
Molecular FormulaC24H38N2O8
Molecular Weight482.57 g/mol
Exact Mass482.26
IUPAC Name2-[2-[5-[[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)NCCC1CC2CC1CC2CNC(=O)OCCOC(O)C(=C)C
InChIInChI=1S/C24H38N2O8/c1-15(2)21(27)31-7-9-33-23(29)25-6-5-17-11-19-12-18(17)13-20(19)14-26-24(30)34-10-8-32-22(28)16(3)4/h17-20,22,28H,1,3,5-14H2,2,4H3,(H,25,29)(H,26,30)
InChIKeyIPOACEWGMNPCBT-UHFFFAOYSA-N
XLogP2.52
TPSA132.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 52.52
H-Bond Donors ≤ 53
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[5-[[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethoxy]ethyl prop-2-enoate
CID 145163136
2-[2-[(1S)-1-hydroxy-2-methylprop-2-enoxy]ethoxy-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate
CID 59266096
2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl 2-tert-butyl-3,3-dimethylbutanoate
CID 123465925
3-[[3-[[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]methylcarbamoyloxy]propyl 2-methylprop-2-enoate
CID 67679308
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid
CID 149304410
2-[2-[2-(prop-1-en-2-yloxymethoxy)ethoxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate
CID 23571684
2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 88900855
2-(heptadecylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 171651386
2-[[2-(2-methylprop-2-enoyloxy)propoxycarbonylamino]methylcarbamoyloxy]ethyl 2-methylprop-2-enoate
CID 54028946
2-[5-(2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl]ethyl 2-methylprop-2-enoate
CID 129070740
2-[4-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]butylcarbamoyloxy]ethyl 2-methylprop-2-enoate
CID 102267142
2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 89172590

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[5-[[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate (CID 134238609) is 2-[2-[5-[[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[5-[[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[5-[[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)NCCC1CC2CC1CC2CNC(=O)OCCOC(O)C(=C)C.
What is the InChIKey of 2-[2-[5-[[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate?
The InChIKey is IPOACEWGMNPCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O8/c1-15(2)21(27)31-7-9-33-23(29)25-6-5-17-11-19-12-18(17)13-20(19)14-26-24(30)34-10-8-32-22(28)16(3)4/h17-20,22,28H,1,3,5-14H2,2,4H3,(H,25,29)(H,26,30).
What are the key properties of 2-[2-[5-[[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate?
2-[2-[5-[[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate has a molecular weight of 482.57 g/mol, XLogP of 2.52, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 134238609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).