[1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate

C24H39NO6 — CID 87627513

IUPAC[1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)CN(CC(C)(C)OC(=O)C(=C)C)CC(C)(C)OC(=O)C(=C)C
InChIInChI=1S/C24H39NO6/c1-16(2)19(26)29-22(7,8)13-25(14-23(9,10)30-20(27)17(3)4)15-24(11,12)31-21(28)18(5)6/h1,3,5,13-15H2,2,4,6-12H3
InChIKeySVAZIHNCYXHBIW-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.98
Rot. Bonds12

About [1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate

[1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate (PubChem CID 87627513) has the molecular formula C24H39NO6 and a molecular weight of 437.58 g/mol. Its IUPAC name is [1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate
PubChem CID87627513
Molecular FormulaC24H39NO6
Molecular Weight437.58 g/mol
Exact Mass437.28
IUPAC Name[1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)CN(CC(C)(C)OC(=O)C(=C)C)CC(C)(C)OC(=O)C(=C)C
InChIInChI=1S/C24H39NO6/c1-16(2)19(26)29-22(7,8)13-25(14-23(9,10)30-20(27)17(3)4)15-24(11,12)31-21(28)18(5)6/h1,3,5,13-15H2,2,4,6-12H3
InChIKeySVAZIHNCYXHBIW-UHFFFAOYSA-N
XLogP3.98
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2,6-dimethyl-6-(2-methylprop-2-enoyloxy)-4-oxoheptan-2-yl] 2-methylprop-2-enoate
CID 139852007
2,5,5-trimethylhexan-2-yl 2-methylprop-2-enoate
CID 88557517
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
[2,4-dimethyl-4-(trimethyl-λ4-sulfanyl)pentan-2-yl] 2-methylprop-2-enoate
CID 167089242
2,2,4-trimethyl-4-(2-methylprop-2-enoyloxy)pentanoic acid
CID 88579591
(1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate
CID 20643876
[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate
CID 123706360
(2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate
CID 150505910
ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate
CID 138654943
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
(5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl) 2-methylprop-2-enoate
CID 147136545
2,5-dimethyl-5-(2-methylprop-2-enoyloxy)hex-2-enoic acid
CID 175238200

Frequently Asked Questions

What is the IUPAC name of [1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate (CID 87627513) is [1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)CN(CC(C)(C)OC(=O)C(=C)C)CC(C)(C)OC(=O)C(=C)C.
What is the InChIKey of [1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate?
The InChIKey is SVAZIHNCYXHBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO6/c1-16(2)19(26)29-22(7,8)13-25(14-23(9,10)30-20(27)17(3)4)15-24(11,12)31-21(28)18(5)6/h1,3,5,13-15H2,2,4,6-12H3.
What are the key properties of [1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate?
[1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate has a molecular weight of 437.58 g/mol, XLogP of 3.98, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 87627513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).