2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate

C15H28N2O4 — CID 154948695

IUPAC2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)OC(=O)NCCCCCCNC
InChIInChI=1S/C15H28N2O4/c1-12(2)14(18)20-11-13(3)21-15(19)17-10-8-6-5-7-9-16-4/h13,16H,1,5-11H2,2-4H3,(H,17,19)
InChIKeyGVMYMJFMNAOYBV-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.00
Rot. Bonds11

About 2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate

2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate (PubChem CID 154948695) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate
PubChem CID154948695
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)OC(=O)NCCCCCCNC
InChIInChI=1S/C15H28N2O4/c1-12(2)14(18)20-11-13(3)21-15(19)17-10-8-6-5-7-9-16-4/h13,16H,1,5-11H2,2-4H3,(H,17,19)
InChIKeyGVMYMJFMNAOYBV-UHFFFAOYSA-N
XLogP2.00
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate
CID 122555611
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
2-[6-(methylamino)hexylcarbamoyloxy]propyl formate
CID 170083157
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-[6-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]hexylcarbamoyloxy]-5-methylhex-5-enyl] 2-methylprop-2-enoate
CID 59729865
2-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate
CID 142512774
2-[1-[3-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propoxy]-2,2-bis[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propoxymethyl]propoxy]propan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 153289545
1-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propan-2-yl 4-(2-methylprop-2-enoyloxy)butanoate
CID 159154859
2-methylpropyl N-[3-(methylamino)propyl]carbamate
CID 43602360
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
2-[[2-(2-methylprop-2-enoyloxy)propoxycarbonylamino]methylcarbamoyloxy]ethyl 2-methylprop-2-enoate
CID 54028946

Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate?
The IUPAC name of 2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate (CID 154948695) is 2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)OC(=O)NCCCCCCNC.
What is the InChIKey of 2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate?
The InChIKey is GVMYMJFMNAOYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-12(2)14(18)20-11-13(3)21-15(19)17-10-8-6-5-7-9-16-4/h13,16H,1,5-11H2,2-4H3,(H,17,19).
What are the key properties of 2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate?
2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate has a molecular weight of 300.40 g/mol, XLogP of 2.00, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 154948695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).