2-[[3,3,5,5-tetramethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate

C24H40N2O8 — CID 23575455

IUPAC2-[[3,3,5,5-tetramethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)NCCC(C)(C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C
InChIInChI=1S/C24H40N2O8/c1-17(2)19(27)31-11-13-33-21(29)25-10-9-23(5,6)15-24(7,8)16-26-22(30)34-14-12-32-20(28)18(3)4/h1,3,9-16H2,2,4-8H3,(H,25,29)(H,26,30)
InChIKeyQIMYLOLTSGIKNZ-UHFFFAOYSA-N
MW484.59 g/mol
LogP3.51
Rot. Bonds15

About 2-[[3,3,5,5-tetramethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate

2-[[3,3,5,5-tetramethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate (PubChem CID 23575455) has the molecular formula C24H40N2O8 and a molecular weight of 484.59 g/mol. Its IUPAC name is 2-[[3,3,5,5-tetramethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[3,3,5,5-tetramethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
PubChem CID23575455
Molecular FormulaC24H40N2O8
Molecular Weight484.59 g/mol
Exact Mass484.28
IUPAC Name2-[[3,3,5,5-tetramethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)NCCC(C)(C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C
InChIInChI=1S/C24H40N2O8/c1-17(2)19(27)31-11-13-33-21(29)25-10-9-23(5,6)15-24(7,8)16-26-22(30)34-14-12-32-20(28)18(3)4/h1,3,9-16H2,2,4-8H3,(H,25,29)(H,26,30)
InChIKeyQIMYLOLTSGIKNZ-UHFFFAOYSA-N
XLogP3.51
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[2,4,4-trimethyl-5-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]pentyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 101153803
2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl 2-tert-butyl-3,3-dimethylbutanoate
CID 123465925
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid
CID 149304410
2-(heptadecylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 171651386
2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 88900855
2-[2-[3-(trimethyl-λ4-sulfanyl)propoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 139355367
[2,2,4-trimethyl-5-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]pentyl]carbamic acid
CID 88880716
2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 89172590
2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen
CID 163302346
2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 167060925
3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
CID 88965929
2-[2-[2-(prop-1-en-2-yloxymethoxy)ethoxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate
CID 23571684

Frequently Asked Questions

What is the IUPAC name of 2-[[3,3,5,5-tetramethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[3,3,5,5-tetramethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate (CID 23575455) is 2-[[3,3,5,5-tetramethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[3,3,5,5-tetramethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[3,3,5,5-tetramethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)NCCC(C)(C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C.
What is the InChIKey of 2-[[3,3,5,5-tetramethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate?
The InChIKey is QIMYLOLTSGIKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O8/c1-17(2)19(27)31-11-13-33-21(29)25-10-9-23(5,6)15-24(7,8)16-26-22(30)34-14-12-32-20(28)18(3)4/h1,3,9-16H2,2,4-8H3,(H,25,29)(H,26,30).
What are the key properties of 2-[[3,3,5,5-tetramethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate?
2-[[3,3,5,5-tetramethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate has a molecular weight of 484.59 g/mol, XLogP of 3.51, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,3,5,5-tetramethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 23575455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).