butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate

C16H29NO4 — CID 87280234

IUPACbutyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCN(C)C
InChIInChI=1S/C8H15NO2.C8H14O2/c1-7(2)8(10)11-6-5-9(3)4;1-4-5-6-10-8(9)7(2)3/h1,5-6H2,2-4H3;2,4-6H2,1,3H3
InChIKeyMRVMMFMJFZHZLV-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.57
Rot. Bonds8

About butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate

butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate (PubChem CID 87280234) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
PubChem CID87280234
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Namebutyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCN(C)C
InChIInChI=1S/C8H15NO2.C8H14O2/c1-7(2)8(10)11-6-5-9(3)4;1-4-5-6-10-8(9)7(2)3/h1,5-6H2,2-4H3;2,4-6H2,1,3H3
InChIKeyMRVMMFMJFZHZLV-UHFFFAOYSA-N
XLogP2.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
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'}

Analyze butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87743568
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
CID 175228289
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;ethene
CID 158758814
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate
CID 131725052
2-(dimethylamino)ethyl 2-methylprop-2-enoate;octyl nitrite
CID 174810218
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
butyl 2-methylprop-2-enoate;carbamic acid
CID 174813698
8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide
CID 141499392

Frequently Asked Questions

What is the IUPAC name of butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate (CID 87280234) is butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCN(C)C.
What is the InChIKey of butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is MRVMMFMJFZHZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C8H14O2/c1-7(2)8(10)11-6-5-9(3)4;1-4-5-6-10-8(9)7(2)3/h1,5-6H2,2-4H3;2,4-6H2,1,3H3.
What are the key properties of butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate?
butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 299.41 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87280234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).