[2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate

C17H25NO5 — CID 154599042

IUPAC[2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)NC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChIInChI=1S/C17H25NO5/c1-8-17(18-14(19)11(2)3,9-22-15(20)12(4)5)10-23-16(21)13(6)7/h2,4,6,8-10H2,1,3,5,7H3,(H,18,19)
InChIKeyRYUARKLJDWGPAF-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.07
Rot. Bonds9

About [2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate

[2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate (PubChem CID 154599042) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is [2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
PubChem CID154599042
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name[2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)NC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChIInChI=1S/C17H25NO5/c1-8-17(18-14(19)11(2)3,9-22-15(20)12(4)5)10-23-16(21)13(6)7/h2,4,6,8-10H2,1,3,5,7H3,(H,18,19)
InChIKeyRYUARKLJDWGPAF-UHFFFAOYSA-N
XLogP2.07
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide
CID 87432428
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
[2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate
CID 87083622
N-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride
CID 173326551
2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 174897902
2,2,2-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
ethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate
CID 19391810
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-prop-1-en-2-yloxydodecyl) 2-methylprop-2-enoate
CID 138628171
[2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate
CID 174553276
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 59903020
(2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate
CID 144855879
ethyl 2-methylprop-2-enoate
CID 130475774

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate (CID 154599042) is [2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate is C=C(C)C(=O)NC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C.
What is the InChIKey of [2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate?
The InChIKey is RYUARKLJDWGPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-8-17(18-14(19)11(2)3,9-22-15(20)12(4)5)10-23-16(21)13(6)7/h2,4,6,8-10H2,1,3,5,7H3,(H,18,19).
What are the key properties of [2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate?
[2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate has a molecular weight of 323.39 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate is sourced from PubChem (CID 154599042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).