[2,2-dimethyl-3-(2-prop-2-enoyloxyethylamino)propyl] 2-methylpropanoate

C14H25NO4 — CID 90296516

IUPAC[2,2-dimethyl-3-(2-prop-2-enoyloxyethylamino)propyl] 2-methylpropanoate
SMILESC=CC(=O)OCCNCC(C)(C)COC(=O)C(C)C
InChIInChI=1S/C14H25NO4/c1-6-12(16)18-8-7-15-9-14(4,5)10-19-13(17)11(2)3/h6,11,15H,1,7-10H2,2-5H3
InChIKeyULMYTQOEBMILAE-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.53
Rot. Bonds9

About [2,2-dimethyl-3-(2-prop-2-enoyloxyethylamino)propyl] 2-methylpropanoate

[2,2-dimethyl-3-(2-prop-2-enoyloxyethylamino)propyl] 2-methylpropanoate (PubChem CID 90296516) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is [2,2-dimethyl-3-(2-prop-2-enoyloxyethylamino)propyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2,2-dimethyl-3-(2-prop-2-enoyloxyethylamino)propyl] 2-methylpropanoate
PubChem CID90296516
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name[2,2-dimethyl-3-(2-prop-2-enoyloxyethylamino)propyl] 2-methylpropanoate
SMILESC=CC(=O)OCCNCC(C)(C)COC(=O)C(C)C
InChIInChI=1S/C14H25NO4/c1-6-12(16)18-8-7-15-9-14(4,5)10-19-13(17)11(2)3/h6,11,15H,1,7-10H2,2-5H3
InChIKeyULMYTQOEBMILAE-UHFFFAOYSA-N
XLogP1.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
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-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylpropanoate
CID 140648691
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
3,3,5-trimethylhexyl prop-2-enoate
CID 22633706
2-(3-methylbut-2-enylamino)ethyl prop-2-enoate
CID 140524543
2-formamidoethyl prop-2-enoate
CID 18401312
3,4,4-trimethylpentyl prop-2-enoate
CID 151450744
(3-amino-2,2-dimethylpropyl) 2-methylpropanoate
CID 20523360
2-(tridecylamino)ethyl prop-2-enoate
CID 141468520
2-propan-2-ylsulfanylethyl prop-2-enoate
CID 58422252
2-acetamidoethyl prop-2-enoate
CID 23089005
(2-prop-2-enoyloxyethylamino)methanesulfonic acid
CID 150122074

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-(2-prop-2-enoyloxyethylamino)propyl] 2-methylpropanoate?
The IUPAC name of [2,2-dimethyl-3-(2-prop-2-enoyloxyethylamino)propyl] 2-methylpropanoate (CID 90296516) is [2,2-dimethyl-3-(2-prop-2-enoyloxyethylamino)propyl] 2-methylpropanoate.
What is the SMILES notation for [2,2-dimethyl-3-(2-prop-2-enoyloxyethylamino)propyl] 2-methylpropanoate?
The canonical SMILES for [2,2-dimethyl-3-(2-prop-2-enoyloxyethylamino)propyl] 2-methylpropanoate is C=CC(=O)OCCNCC(C)(C)COC(=O)C(C)C.
What is the InChIKey of [2,2-dimethyl-3-(2-prop-2-enoyloxyethylamino)propyl] 2-methylpropanoate?
The InChIKey is ULMYTQOEBMILAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-6-12(16)18-8-7-15-9-14(4,5)10-19-13(17)11(2)3/h6,11,15H,1,7-10H2,2-5H3.
What are the key properties of [2,2-dimethyl-3-(2-prop-2-enoyloxyethylamino)propyl] 2-methylpropanoate?
[2,2-dimethyl-3-(2-prop-2-enoyloxyethylamino)propyl] 2-methylpropanoate has a molecular weight of 271.36 g/mol, XLogP of 1.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-(2-prop-2-enoyloxyethylamino)propyl] 2-methylpropanoate is sourced from PubChem (CID 90296516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).