2-(6-bicyclo[3.2.1]octanylmethylcarbamoyloxy)butyl 2-methylprop-2-enoate

C18H29NO4 — CID 145163151

IUPAC2-(6-bicyclo[3.2.1]octanylmethylcarbamoyloxy)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CC)OC(=O)NCC1CC2CCCC1C2
InChIInChI=1S/C18H29NO4/c1-4-16(11-22-17(20)12(2)3)23-18(21)19-10-15-9-13-6-5-7-14(15)8-13/h13-16H,2,4-11H2,1,3H3,(H,19,21)
InChIKeyXDXVEPFGZUZUFI-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.44
Rot. Bonds7

About 2-(6-bicyclo[3.2.1]octanylmethylcarbamoyloxy)butyl 2-methylprop-2-enoate

2-(6-bicyclo[3.2.1]octanylmethylcarbamoyloxy)butyl 2-methylprop-2-enoate (PubChem CID 145163151) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is 2-(6-bicyclo[3.2.1]octanylmethylcarbamoyloxy)butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(6-bicyclo[3.2.1]octanylmethylcarbamoyloxy)butyl 2-methylprop-2-enoate
PubChem CID145163151
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name2-(6-bicyclo[3.2.1]octanylmethylcarbamoyloxy)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CC)OC(=O)NCC1CC2CCCC1C2
InChIInChI=1S/C18H29NO4/c1-4-16(11-22-17(20)12(2)3)23-18(21)19-10-15-9-13-6-5-7-14(15)8-13/h13-16H,2,4-11H2,1,3H3,(H,19,21)
InChIKeyXDXVEPFGZUZUFI-UHFFFAOYSA-N
XLogP3.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bicyclo[2.2.1]heptanylmethylamino)oxybutyl 2-methylprop-2-enoate
CID 122597621
[3-(4-methylphenoxy)-2-[[6-[[[1-(4-methylphenoxy)-3-(2-methylprop-2-enoyloxy)propan-2-yl]oxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]methylcarbamoyloxy]propyl] 2-methylprop-2-enoate
CID 89212186
1-(2-methylprop-2-enoyloxy)butan-2-yl 3-oxobutanoate
CID 23370738
[2-[[(2R,6S)-6-[[[1-(2-methylprop-2-enoyloxy)-3-(4-nonylphenoxy)propan-2-yl]oxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]methylcarbamoyloxy]-3-(4-nonylphenoxy)propyl] 2-methylprop-2-enoate
CID 146341792
2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)oxyethoxy]ethyl 2-methylprop-2-enoate
CID 122597632
butane-1,4-diol;2-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 122641854
[3-(4-methylphenoxy)-2-[[6-[[[1-(2-methylprop-2-enoyloxy)-3-(4-nona-1,3,5,7-tetraynylphenoxy)propan-2-yl]oxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]methylcarbamoyloxy]propyl] 2-methylprop-2-enoate
CID 89212193
2-dimethylsilyloxybutyl 2-methylprop-2-enoate
CID 123902003
2-ethenoxybutyl 2-methylprop-2-enoate
CID 87422864
2-(2-methylprop-2-enoxy)butyl 2-methylprop-2-enoate
CID 153321870
2-[2-[3-[2-[1-(2-methylprop-2-enoyloxy)butan-2-yloxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]butyl 2-methylprop-2-enoate
CID 122597647
2-[[3-[[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]methylcarbamoyloxy]ethyl 2-methylprop-2-enoate;[3-phenoxy-2-[[3-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methylcarbamoyloxy]propyl] prop-2-enoate;bis(2-[[3-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methylcarbamoyloxy]ethyl prop-2-enoate);2-[[3-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]cyclohexyl]methylcarbamoyloxy]ethyl 2-methylprop-2-enoate;2-[[3-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]cyclohexyl]methylcarbamoyloxy]ethyl prop-2-enoate
CID 157166319

Frequently Asked Questions

What is the IUPAC name of 2-(6-bicyclo[3.2.1]octanylmethylcarbamoyloxy)butyl 2-methylprop-2-enoate?
The IUPAC name of 2-(6-bicyclo[3.2.1]octanylmethylcarbamoyloxy)butyl 2-methylprop-2-enoate (CID 145163151) is 2-(6-bicyclo[3.2.1]octanylmethylcarbamoyloxy)butyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(6-bicyclo[3.2.1]octanylmethylcarbamoyloxy)butyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(6-bicyclo[3.2.1]octanylmethylcarbamoyloxy)butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CC)OC(=O)NCC1CC2CCCC1C2.
What is the InChIKey of 2-(6-bicyclo[3.2.1]octanylmethylcarbamoyloxy)butyl 2-methylprop-2-enoate?
The InChIKey is XDXVEPFGZUZUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-4-16(11-22-17(20)12(2)3)23-18(21)19-10-15-9-13-6-5-7-14(15)8-13/h13-16H,2,4-11H2,1,3H3,(H,19,21).
What are the key properties of 2-(6-bicyclo[3.2.1]octanylmethylcarbamoyloxy)butyl 2-methylprop-2-enoate?
2-(6-bicyclo[3.2.1]octanylmethylcarbamoyloxy)butyl 2-methylprop-2-enoate has a molecular weight of 323.43 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bicyclo[3.2.1]octanylmethylcarbamoyloxy)butyl 2-methylprop-2-enoate is sourced from PubChem (CID 145163151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).