2-(2-methylpentan-2-ylcarbamoyloxy)propyl 2-methylprop-2-enoate

C14H25NO4 — CID 122555482

IUPAC2-(2-methylpentan-2-ylcarbamoyloxy)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)OC(=O)NC(C)(C)CCC
InChIInChI=1S/C14H25NO4/c1-7-8-14(5,6)15-13(17)19-11(4)9-18-12(16)10(2)3/h11H,2,7-9H2,1,3-6H3,(H,15,17)
InChIKeyHWSSVCXOPSXWEI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.80
Rot. Bonds7

About 2-(2-methylpentan-2-ylcarbamoyloxy)propyl 2-methylprop-2-enoate

2-(2-methylpentan-2-ylcarbamoyloxy)propyl 2-methylprop-2-enoate (PubChem CID 122555482) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(2-methylpentan-2-ylcarbamoyloxy)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-methylpentan-2-ylcarbamoyloxy)propyl 2-methylprop-2-enoate
PubChem CID122555482
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-(2-methylpentan-2-ylcarbamoyloxy)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)OC(=O)NC(C)(C)CCC
InChIInChI=1S/C14H25NO4/c1-7-8-14(5,6)15-13(17)19-11(4)9-18-12(16)10(2)3/h11H,2,7-9H2,1,3-6H3,(H,15,17)
InChIKeyHWSSVCXOPSXWEI-UHFFFAOYSA-N
XLogP2.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.80
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-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate
CID 142512774
2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate
CID 122555611
2-[[2,4,4-trimethyl-6-(propoxycarbonylamino)hexyl]carbamoyloxy]propyl 2-methylprop-2-enoate
CID 123156302
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 58975887
1-(2-methylprop-2-enoyloxy)propan-2-yl docosanoate
CID 139616268
2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate
CID 154948695
1-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 87844195
1-[1-[1-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl 2-bromo-2-methylpropanoate
CID 58040730
1-(2-methylprop-2-enoyloxy)propan-2-yl 8-[1-(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]octanoate
CID 157064123
dibutyl-[2-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]-2-oxoethyl]sulfanium
CID 58779963

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-2-ylcarbamoyloxy)propyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-methylpentan-2-ylcarbamoyloxy)propyl 2-methylprop-2-enoate (CID 122555482) is 2-(2-methylpentan-2-ylcarbamoyloxy)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-methylpentan-2-ylcarbamoyloxy)propyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-methylpentan-2-ylcarbamoyloxy)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)OC(=O)NC(C)(C)CCC.
What is the InChIKey of 2-(2-methylpentan-2-ylcarbamoyloxy)propyl 2-methylprop-2-enoate?
The InChIKey is HWSSVCXOPSXWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-7-8-14(5,6)15-13(17)19-11(4)9-18-12(16)10(2)3/h11H,2,7-9H2,1,3-6H3,(H,15,17).
What are the key properties of 2-(2-methylpentan-2-ylcarbamoyloxy)propyl 2-methylprop-2-enoate?
2-(2-methylpentan-2-ylcarbamoyloxy)propyl 2-methylprop-2-enoate has a molecular weight of 271.36 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-2-ylcarbamoyloxy)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 122555482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).