2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane

C16H32N2O3 — CID 161409865

IUPAC2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane
SMILESC.C=C(C)C(=O)OCCN(CC)CC.C=CC(=O)NCC
InChIInChI=1S/C10H19NO2.C5H9NO.CH4/c1-5-11(6-2)7-8-13-10(12)9(3)4;1-3-5(7)6-4-2;/h3,5-8H2,1-2,4H3;3H,1,4H2,2H3,(H,6,7);1H4
InChIKeyVVIBMBCOVSIUSJ-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.39
Rot. Bonds8

About 2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane

2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane (PubChem CID 161409865) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane
PubChem CID161409865
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane
SMILESC.C=C(C)C(=O)OCCN(CC)CC.C=CC(=O)NCC
InChIInChI=1S/C10H19NO2.C5H9NO.CH4/c1-5-11(6-2)7-8-13-10(12)9(3)4;1-3-5(7)6-4-2;/h3,5-8H2,1-2,4H3;3H,1,4H2,2H3,(H,6,7);1H4
InChIKeyVVIBMBCOVSIUSJ-UHFFFAOYSA-N
XLogP2.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161237625
[3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659271
2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate
CID 88906932
2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate
CID 162214981
butyl 2-methylprop-2-enoate;2-(diethylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate
CID 173140815
10-(diethylamino)decyl 2-methylprop-2-enoate
CID 88816088
2-(diethylamino)ethyl 2-methylhexa-2,5-dienoate
CID 173337637
N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene
CID 91512805
2-(diethylamino)ethyl 2-methylprop-2-enoate;2-ethenylpyridine
CID 135260346
2-(dipentylamino)ethyl 2-methylprop-2-enoate
CID 54255314
2-[3-[acetyl-[2-(prop-2-enoylamino)ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate
CID 154988870
N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane?
The IUPAC name of 2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane (CID 161409865) is 2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane.
What is the SMILES notation for 2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane?
The canonical SMILES for 2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane is C.C=C(C)C(=O)OCCN(CC)CC.C=CC(=O)NCC.
What is the InChIKey of 2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane?
The InChIKey is VVIBMBCOVSIUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C5H9NO.CH4/c1-5-11(6-2)7-8-13-10(12)9(3)4;1-3-5(7)6-4-2;/h3,5-8H2,1-2,4H3;3H,1,4H2,2H3,(H,6,7);1H4.
What are the key properties of 2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane?
2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane has a molecular weight of 300.44 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane is sourced from PubChem (CID 161409865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).