2-(2-methylpentan-2-ylcarbamoyloxy)butyl prop-2-enoate

C14H25NO4 — CID 122555494

IUPAC2-(2-methylpentan-2-ylcarbamoyloxy)butyl prop-2-enoate
SMILESC=CC(=O)OCC(CC)OC(=O)NC(C)(C)CCC
InChIInChI=1S/C14H25NO4/c1-6-9-14(4,5)15-13(17)19-11(7-2)10-18-12(16)8-3/h8,11H,3,6-7,9-10H2,1-2,4-5H3,(H,15,17)
InChIKeyMQGQIKGWYGFFPN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.80
Rot. Bonds8

About 2-(2-methylpentan-2-ylcarbamoyloxy)butyl prop-2-enoate

2-(2-methylpentan-2-ylcarbamoyloxy)butyl prop-2-enoate (PubChem CID 122555494) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(2-methylpentan-2-ylcarbamoyloxy)butyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-methylpentan-2-ylcarbamoyloxy)butyl prop-2-enoate
PubChem CID122555494
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-(2-methylpentan-2-ylcarbamoyloxy)butyl prop-2-enoate
SMILESC=CC(=O)OCC(CC)OC(=O)NC(C)(C)CCC
InChIInChI=1S/C14H25NO4/c1-6-9-14(4,5)15-13(17)19-11(7-2)10-18-12(16)8-3/h8,11H,3,6-7,9-10H2,1-2,4-5H3,(H,15,17)
InChIKeyMQGQIKGWYGFFPN-UHFFFAOYSA-N
XLogP2.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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-[2-[3-[2-(1-prop-2-enoyloxybutan-2-yloxycarbonylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]butyl prop-2-enoate
CID 122597571
2-[(4-methylsulfanylphenyl)carbamoyloxy]butyl prop-2-enoate
CID 68545764
2-(1-hydroxyethoxy)butyl prop-2-enoate
CID 142300979
4-oxo-4-(2-prop-2-enoyloxybutoxy)but-2-enoic acid
CID 91078384
2-(2-methylpentan-2-ylcarbamoyloxy)propyl 2-methylprop-2-enoate
CID 122555482
(5-hydroxy-7-prop-2-enoyloxy-5-propylnonan-3-yl) prop-2-enoate
CID 173131238
2-prop-2-enoyloxyheptyl prop-2-enoate
CID 123616440
[3-prop-2-enoyloxy-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]propyl] prop-2-enoate
CID 15734519
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
2-(ethylamino)propyl prop-2-enoate
CID 57196832
2-(1-prop-2-enoyloxybutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 140580314
2,3-bis[(2-methylpropan-2-yl)oxy]propyl prop-2-enoate
CID 167170531

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-2-ylcarbamoyloxy)butyl prop-2-enoate?
The IUPAC name of 2-(2-methylpentan-2-ylcarbamoyloxy)butyl prop-2-enoate (CID 122555494) is 2-(2-methylpentan-2-ylcarbamoyloxy)butyl prop-2-enoate.
What is the SMILES notation for 2-(2-methylpentan-2-ylcarbamoyloxy)butyl prop-2-enoate?
The canonical SMILES for 2-(2-methylpentan-2-ylcarbamoyloxy)butyl prop-2-enoate is C=CC(=O)OCC(CC)OC(=O)NC(C)(C)CCC.
What is the InChIKey of 2-(2-methylpentan-2-ylcarbamoyloxy)butyl prop-2-enoate?
The InChIKey is MQGQIKGWYGFFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-6-9-14(4,5)15-13(17)19-11(7-2)10-18-12(16)8-3/h8,11H,3,6-7,9-10H2,1-2,4-5H3,(H,15,17).
What are the key properties of 2-(2-methylpentan-2-ylcarbamoyloxy)butyl prop-2-enoate?
2-(2-methylpentan-2-ylcarbamoyloxy)butyl prop-2-enoate has a molecular weight of 271.36 g/mol, XLogP of 2.80, 8 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)butyl prop-2-enoate is sourced from PubChem (CID 122555494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).