2-(diethylamino)ethyl prop-2-enoate;5-(diethylamino)-2-methylpent-2-enoic acid

C19H36N2O4 — CID 175959487

IUPAC2-(diethylamino)ethyl prop-2-enoate;5-(diethylamino)-2-methylpent-2-enoic acid
SMILESC=CC(=O)OCCN(CC)CC.CCN(CC)CCC=C(C)C(=O)O
InChIInChI=1S/C10H19NO2.C9H17NO2/c1-4-11(5-2)8-6-7-9(3)10(12)13;1-4-9(11)12-8-7-10(5-2)6-3/h7H,4-6,8H2,1-3H3,(H,12,13);4H,1,5-8H2,2-3H3
InChIKeyJIIFHKIUIGORGD-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.81
Rot. Bonds12

About 2-(diethylamino)ethyl prop-2-enoate;5-(diethylamino)-2-methylpent-2-enoic acid

2-(diethylamino)ethyl prop-2-enoate;5-(diethylamino)-2-methylpent-2-enoic acid (PubChem CID 175959487) has the molecular formula C19H36N2O4 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-(diethylamino)ethyl prop-2-enoate;5-(diethylamino)-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name2-(diethylamino)ethyl prop-2-enoate;5-(diethylamino)-2-methylpent-2-enoic acid
PubChem CID175959487
Molecular FormulaC19H36N2O4
Molecular Weight356.51 g/mol
Exact Mass356.27
IUPAC Name2-(diethylamino)ethyl prop-2-enoate;5-(diethylamino)-2-methylpent-2-enoic acid
SMILESC=CC(=O)OCCN(CC)CC.CCN(CC)CCC=C(C)C(=O)O
InChIInChI=1S/C10H19NO2.C9H17NO2/c1-4-11(5-2)8-6-7-9(3)10(12)13;1-4-9(11)12-8-7-10(5-2)6-3/h7H,4-6,8H2,1-3H3,(H,12,13);4H,1,5-8H2,2-3H3
InChIKeyJIIFHKIUIGORGD-UHFFFAOYSA-N
XLogP2.81
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(diethylamino)-2-methylpent-2-enoic acid;prop-2-enamide
CID 173365859
5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate
CID 173421757
bromoethane;2-(dimethylamino)ethyl prop-2-enoate
CID 174957893
ethyl 5-(diethylamino)-2-methylpent-2-enoate
CID 175173759
2,6-dimethyl-8-oxo-8-(prop-2-enoyloxymethoxy)octa-2,6-dienoic acid
CID 174421839
2-(diethylamino)ethyl 2-methylhexa-2,5-dienoate
CID 173337637
butyl prop-2-enoate;2-methylpent-2-enoic acid;octadecyl prop-2-enoate
CID 175776975
2-(dihexylamino)ethyl prop-2-enoate
CID 54463333
(E)-5-(diethylamino)-2-methylpent-2-enoate
CID 23330271
2-methylhept-2-enoic acid;methyl prop-2-enoate
CID 174224350
5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid
CID 173423992
2-[acetyl(propyl)amino]ethyl prop-2-enoate
CID 118477118

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl prop-2-enoate;5-(diethylamino)-2-methylpent-2-enoic acid?
The IUPAC name of 2-(diethylamino)ethyl prop-2-enoate;5-(diethylamino)-2-methylpent-2-enoic acid (CID 175959487) is 2-(diethylamino)ethyl prop-2-enoate;5-(diethylamino)-2-methylpent-2-enoic acid.
What is the SMILES notation for 2-(diethylamino)ethyl prop-2-enoate;5-(diethylamino)-2-methylpent-2-enoic acid?
The canonical SMILES for 2-(diethylamino)ethyl prop-2-enoate;5-(diethylamino)-2-methylpent-2-enoic acid is C=CC(=O)OCCN(CC)CC.CCN(CC)CCC=C(C)C(=O)O.
What is the InChIKey of 2-(diethylamino)ethyl prop-2-enoate;5-(diethylamino)-2-methylpent-2-enoic acid?
The InChIKey is JIIFHKIUIGORGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C9H17NO2/c1-4-11(5-2)8-6-7-9(3)10(12)13;1-4-9(11)12-8-7-10(5-2)6-3/h7H,4-6,8H2,1-3H3,(H,12,13);4H,1,5-8H2,2-3H3.
What are the key properties of 2-(diethylamino)ethyl prop-2-enoate;5-(diethylamino)-2-methylpent-2-enoic acid?
2-(diethylamino)ethyl prop-2-enoate;5-(diethylamino)-2-methylpent-2-enoic acid has a molecular weight of 356.51 g/mol, XLogP of 2.81, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl prop-2-enoate;5-(diethylamino)-2-methylpent-2-enoic acid is sourced from PubChem (CID 175959487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).