2-[(2-methyl-2-pentan-2-yloxypropanoyl)amino]ethyl 2-methylprop-2-enoate

C15H27NO4 — CID 146334641

IUPAC2-[(2-methyl-2-pentan-2-yloxypropanoyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)C(C)(C)OC(C)CCC
InChIInChI=1S/C15H27NO4/c1-7-8-12(4)20-15(5,6)14(18)16-9-10-19-13(17)11(2)3/h12H,2,7-10H2,1,3-6H3,(H,16,18)
InChIKeyIYASYWGLSICKSE-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.21
Rot. Bonds9

About 2-[(2-methyl-2-pentan-2-yloxypropanoyl)amino]ethyl 2-methylprop-2-enoate

2-[(2-methyl-2-pentan-2-yloxypropanoyl)amino]ethyl 2-methylprop-2-enoate (PubChem CID 146334641) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[(2-methyl-2-pentan-2-yloxypropanoyl)amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(2-methyl-2-pentan-2-yloxypropanoyl)amino]ethyl 2-methylprop-2-enoate
PubChem CID146334641
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-[(2-methyl-2-pentan-2-yloxypropanoyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)C(C)(C)OC(C)CCC
InChIInChI=1S/C15H27NO4/c1-7-8-12(4)20-15(5,6)14(18)16-9-10-19-13(17)11(2)3/h12H,2,7-10H2,1,3-6H3,(H,16,18)
InChIKeyIYASYWGLSICKSE-UHFFFAOYSA-N
XLogP2.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
CID 90228448
2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 165000020
2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate
CID 91694697
2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate
CID 130348448
2-[[2-[8-[6-(2-ethylhexoxy)-6-methyl-5-oxoheptoxy]-7,7,8-trimethyl-6-oxononoxy]-2-methylpropanoyl]amino]ethyl 2-methylprop-2-enoate
CID 138721212
2-(2-methoxypropanoylamino)ethyl 2-methylprop-2-enoate
CID 89184726
2-(2,2,4-trimethylpentan-3-yloxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 166881112
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
2-(propylamino)ethyl 2-methylprop-2-enoate
CID 18325626
2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 58975887
2-(2-methoxybutanoylamino)ethyl 2-methylprop-2-enoate
CID 166937691

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2-pentan-2-yloxypropanoyl)amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(2-methyl-2-pentan-2-yloxypropanoyl)amino]ethyl 2-methylprop-2-enoate (CID 146334641) is 2-[(2-methyl-2-pentan-2-yloxypropanoyl)amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(2-methyl-2-pentan-2-yloxypropanoyl)amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(2-methyl-2-pentan-2-yloxypropanoyl)amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)C(C)(C)OC(C)CCC.
What is the InChIKey of 2-[(2-methyl-2-pentan-2-yloxypropanoyl)amino]ethyl 2-methylprop-2-enoate?
The InChIKey is IYASYWGLSICKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-7-8-12(4)20-15(5,6)14(18)16-9-10-19-13(17)11(2)3/h12H,2,7-10H2,1,3-6H3,(H,16,18).
What are the key properties of 2-[(2-methyl-2-pentan-2-yloxypropanoyl)amino]ethyl 2-methylprop-2-enoate?
2-[(2-methyl-2-pentan-2-yloxypropanoyl)amino]ethyl 2-methylprop-2-enoate has a molecular weight of 285.38 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2-pentan-2-yloxypropanoyl)amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 146334641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).