1-(1,1-diethoxyethylamino)ethyl 2-methylprop-2-enoate

C12H23NO4 — CID 139878668

IUPAC1-(1,1-diethoxyethylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)NC(C)(OCC)OCC
InChIInChI=1S/C12H23NO4/c1-7-15-12(6,16-8-2)13-10(5)17-11(14)9(3)4/h10,13H,3,7-8H2,1-2,4-6H3
InChIKeyDFWXLWQXJTUMTM-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.79
Rot. Bonds8

About 1-(1,1-diethoxyethylamino)ethyl 2-methylprop-2-enoate

1-(1,1-diethoxyethylamino)ethyl 2-methylprop-2-enoate (PubChem CID 139878668) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(1,1-diethoxyethylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(1,1-diethoxyethylamino)ethyl 2-methylprop-2-enoate
PubChem CID139878668
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name1-(1,1-diethoxyethylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)NC(C)(OCC)OCC
InChIInChI=1S/C12H23NO4/c1-7-15-12(6,16-8-2)13-10(5)17-11(14)9(3)4/h10,13H,3,7-8H2,1-2,4-6H3
InChIKeyDFWXLWQXJTUMTM-UHFFFAOYSA-N
XLogP1.79
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylpentadecan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrobromide
CID 175075284
1-(tert-butylamino)propyl 2-methylprop-2-enoate
CID 18325515
1-[2-(2-methylphenyl)propan-2-ylamino]ethyl 2-methylprop-2-enoate
CID 175588081
2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid
CID 174779990
[3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate
CID 91213887
propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate;propane-1,2-diol
CID 174490728
1-(ethenylamino)ethyl 2-methylprop-2-enoate
CID 87899404
1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 140721028
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
2-ethoxybutan-2-yl 2-methylprop-2-enoate
CID 175455949

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-diethoxyethylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-(1,1-diethoxyethylamino)ethyl 2-methylprop-2-enoate (CID 139878668) is 1-(1,1-diethoxyethylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(1,1-diethoxyethylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(1,1-diethoxyethylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)NC(C)(OCC)OCC.
What is the InChIKey of 1-(1,1-diethoxyethylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is DFWXLWQXJTUMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-7-15-12(6,16-8-2)13-10(5)17-11(14)9(3)4/h10,13H,3,7-8H2,1-2,4-6H3.
What are the key properties of 1-(1,1-diethoxyethylamino)ethyl 2-methylprop-2-enoate?
1-(1,1-diethoxyethylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 245.32 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-diethoxyethylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139878668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).