2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)oxyethoxy]ethyl 2-methylprop-2-enoate

C16H27NO4 — CID 122597632

IUPAC2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)oxyethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCONCC1CC2CCC1C2
InChIInChI=1S/C16H27NO4/c1-12(2)16(18)20-7-5-19-6-8-21-17-11-15-10-13-3-4-14(15)9-13/h13-15,17H,1,3-11H2,2H3
InChIKeyCZEFDKVGDVGZFU-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.08
Rot. Bonds10

About 2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)oxyethoxy]ethyl 2-methylprop-2-enoate

2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)oxyethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 122597632) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)oxyethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)oxyethoxy]ethyl 2-methylprop-2-enoate
PubChem CID122597632
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)oxyethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCONCC1CC2CCC1C2
InChIInChI=1S/C16H27NO4/c1-12(2)16(18)20-7-5-19-6-8-21-17-11-15-10-13-3-4-14(15)9-13/h13-15,17H,1,3-11H2,2H3
InChIKeyCZEFDKVGDVGZFU-UHFFFAOYSA-N
XLogP2.08
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.08
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bicyclo[2.2.1]heptanylmethylamino)oxybutyl 2-methylprop-2-enoate
CID 122597621
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118552732
3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
CID 87490108
bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 158009828
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22918033
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 162171139
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethanesulfonic acid
CID 122611081
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22247396
2-(2-aminoethoxy)ethyl 2-methylprop-2-enoate
CID 20573934

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)oxyethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)oxyethoxy]ethyl 2-methylprop-2-enoate (CID 122597632) is 2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)oxyethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)oxyethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)oxyethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCONCC1CC2CCC1C2.
What is the InChIKey of 2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)oxyethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is CZEFDKVGDVGZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-12(2)16(18)20-7-5-19-6-8-21-17-11-15-10-13-3-4-14(15)9-13/h13-15,17H,1,3-11H2,2H3.
What are the key properties of 2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)oxyethoxy]ethyl 2-methylprop-2-enoate?
2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)oxyethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 297.39 g/mol, XLogP of 2.08, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)oxyethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 122597632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).