(8-morpholin-4-yl-4-oxooctyl) 2-methylprop-2-enoate

C16H27NO4 — CID 58372176

IUPAC(8-morpholin-4-yl-4-oxooctyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(=O)CCCCN1CCOCC1
InChIInChI=1S/C16H27NO4/c1-14(2)16(19)21-11-5-7-15(18)6-3-4-8-17-9-12-20-13-10-17/h1,3-13H2,2H3
InChIKeyUXGBDZBDUXVZGL-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.96
Rot. Bonds10

About (8-morpholin-4-yl-4-oxooctyl) 2-methylprop-2-enoate

(8-morpholin-4-yl-4-oxooctyl) 2-methylprop-2-enoate (PubChem CID 58372176) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is (8-morpholin-4-yl-4-oxooctyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(8-morpholin-4-yl-4-oxooctyl) 2-methylprop-2-enoate
PubChem CID58372176
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name(8-morpholin-4-yl-4-oxooctyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(=O)CCCCN1CCOCC1
InChIInChI=1S/C16H27NO4/c1-14(2)16(19)21-11-5-7-15(18)6-3-4-8-17-9-12-20-13-10-17/h1,3-13H2,2H3
InChIKeyUXGBDZBDUXVZGL-UHFFFAOYSA-N
XLogP1.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
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

(2,6,6-trimethyl-13-morpholin-4-yltridecyl) 2-methylprop-2-enoate
CID 139996527
ethane;3-morpholin-4-ylpropyl 2-methylpropanoate
CID 172564142
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
6-(2-morpholin-4-ylethoxy)hexanamide
CID 67176571
ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589
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
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
6-(1,4-oxazepan-4-yl)hexan-3-one
CID 106801426
3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate
CID 58135814
1-morpholin-4-yl-10-propan-2-ylsulfonyldecan-5-one
CID 58144026
2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate
CID 18314417
5-morpholin-4-ylpentanehydrazide
CID 63570305

Frequently Asked Questions

What is the IUPAC name of (8-morpholin-4-yl-4-oxooctyl) 2-methylprop-2-enoate?
The IUPAC name of (8-morpholin-4-yl-4-oxooctyl) 2-methylprop-2-enoate (CID 58372176) is (8-morpholin-4-yl-4-oxooctyl) 2-methylprop-2-enoate.
What is the SMILES notation for (8-morpholin-4-yl-4-oxooctyl) 2-methylprop-2-enoate?
The canonical SMILES for (8-morpholin-4-yl-4-oxooctyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC(=O)CCCCN1CCOCC1.
What is the InChIKey of (8-morpholin-4-yl-4-oxooctyl) 2-methylprop-2-enoate?
The InChIKey is UXGBDZBDUXVZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-14(2)16(19)21-11-5-7-15(18)6-3-4-8-17-9-12-20-13-10-17/h1,3-13H2,2H3.
What are the key properties of (8-morpholin-4-yl-4-oxooctyl) 2-methylprop-2-enoate?
(8-morpholin-4-yl-4-oxooctyl) 2-methylprop-2-enoate has a molecular weight of 297.39 g/mol, XLogP of 1.96, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-morpholin-4-yl-4-oxooctyl) 2-methylprop-2-enoate is sourced from PubChem (CID 58372176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).