2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate

C14H25NO4 — CID 122555611

IUPAC2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)OC(=O)NCCCCCC
InChIInChI=1S/C14H25NO4/c1-5-6-7-8-9-15-14(17)19-12(4)10-18-13(16)11(2)3/h12H,2,5-10H2,1,3-4H3,(H,15,17)
InChIKeyNIVFXBJZRPTOHP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.80
Rot. Bonds9

About 2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate

2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate (PubChem CID 122555611) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate
PubChem CID122555611
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)OC(=O)NCCCCCC
InChIInChI=1S/C14H25NO4/c1-5-6-7-8-9-15-14(17)19-12(4)10-18-13(16)11(2)3/h12H,2,5-10H2,1,3-4H3,(H,15,17)
InChIKeyNIVFXBJZRPTOHP-UHFFFAOYSA-N
XLogP2.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate
CID 154948695
1-(2-methylprop-2-enoyloxy)propan-2-yl 8-[1-(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]octanoate
CID 157064123
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-(heptadecylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 171651386
1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl 8-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]octanoate
CID 58059954
2-(2-methylpentan-2-ylcarbamoyloxy)propyl 2-methylprop-2-enoate
CID 122555482
[2-oxo-2-(tetradecylamino)ethyl] 2-methylprop-2-enoate
CID 171651399
[2-[6-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]hexylcarbamoyloxy]-5-methylhex-5-enyl] 2-methylprop-2-enoate
CID 59729865
[1-(heptylcarbamoyloxy)-2,3-dihydroxypropyl] 2-methylprop-2-enoate
CID 59713222
[(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate
CID 129383287
[2-(butylcarbamothioyloxy)-3-sulfanylpropyl] 2-methylprop-2-enoate
CID 102590106

Frequently Asked Questions

What is the IUPAC name of 2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate?
The IUPAC name of 2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate (CID 122555611) is 2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)OC(=O)NCCCCCC.
What is the InChIKey of 2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate?
The InChIKey is NIVFXBJZRPTOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-5-6-7-8-9-15-14(17)19-12(4)10-18-13(16)11(2)3/h12H,2,5-10H2,1,3-4H3,(H,15,17).
What are the key properties of 2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate?
2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate has a molecular weight of 271.36 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 122555611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).