2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-ethoxyethyl prop-2-enoate

C17H31NO5 — CID 87410728

IUPAC2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-ethoxyethyl prop-2-enoate
SMILESC=C(C)C(=O)OCCNC(C)(C)C.C=CC(=O)OCCOCC
InChIInChI=1S/C10H19NO2.C7H12O3/c1-8(2)9(12)13-7-6-11-10(3,4)5;1-3-7(8)10-6-5-9-4-2/h11H,1,6-7H2,2-5H3;3H,1,4-6H2,2H3
InChIKeyPWCSUBAABZCKPM-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.25
Rot. Bonds9

About 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-ethoxyethyl prop-2-enoate

2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-ethoxyethyl prop-2-enoate (PubChem CID 87410728) has the molecular formula C17H31NO5 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-ethoxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-ethoxyethyl prop-2-enoate
PubChem CID87410728
Molecular FormulaC17H31NO5
Molecular Weight329.44 g/mol
Exact Mass329.22
IUPAC Name2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-ethoxyethyl prop-2-enoate
SMILESC=C(C)C(=O)OCCNC(C)(C)C.C=CC(=O)OCCOCC
InChIInChI=1S/C10H19NO2.C7H12O3/c1-8(2)9(12)13-7-6-11-10(3,4)5;1-3-7(8)10-6-5-9-4-2/h11H,1,6-7H2,2-5H3;3H,1,4-6H2,2H3
InChIKeyPWCSUBAABZCKPM-UHFFFAOYSA-N
XLogP2.25
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-ethoxyethyl prop-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-(tert-Butylamino)ethyl methacrylate
CID 19601
N-t-Butylaminoethyl acrylate
CID 10130166
Methyl methacrylate ethyl acrylate t-butylaminoethyl methacrylate
CID 169029
2-(Tert-butylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 17873151
Prop-2-enoic acid--2-(tert-butylamino)ethyl 2-methylprop-2-enoate (1/1)
CID 44150396
Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium acetate
CID 73555277
2-Propenoic acid, 2-methyl-, 2-((1,1-dimethylethyl)amino)ethyl ester, hydrochloride (1:1)
CID 90020
2-(Tert-butylamino)ethyl 2-methylprop-2-enoate;butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 169030
2-(tert-Butylamino)ethyl 2-methylprop-2-enoate--2-methylpropyl 2-methylprop-2-enoate (1/1)
CID 170263
2-(Tert-butylamino)ethyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate
CID 6453517
2-(Isopropylamino)ethyl methacrylate
CID 18325548
2-(Ethylamino)ethyl 2-methylprop-2-enoate
CID 18325612

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-ethoxyethyl prop-2-enoate?
The IUPAC name of 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-ethoxyethyl prop-2-enoate (CID 87410728) is 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-ethoxyethyl prop-2-enoate.
What is the SMILES notation for 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-ethoxyethyl prop-2-enoate?
The canonical SMILES for 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-ethoxyethyl prop-2-enoate is C=C(C)C(=O)OCCNC(C)(C)C.C=CC(=O)OCCOCC.
What is the InChIKey of 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-ethoxyethyl prop-2-enoate?
The InChIKey is PWCSUBAABZCKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C7H12O3/c1-8(2)9(12)13-7-6-11-10(3,4)5;1-3-7(8)10-6-5-9-4-2/h11H,1,6-7H2,2-5H3;3H,1,4-6H2,2H3.
What are the key properties of 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-ethoxyethyl prop-2-enoate?
2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-ethoxyethyl prop-2-enoate has a molecular weight of 329.44 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-ethoxyethyl prop-2-enoate is sourced from PubChem (CID 87410728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).