(E)-N-[3-(diethylamino)-2-hydroxypropyl]-N-methylbut-2-enamide

C12H24N2O2 — CID 90245858

IUPAC(E)-N-[3-(diethylamino)-2-hydroxypropyl]-N-methylbut-2-enamide
SMILESC/C=C/C(=O)N(C)CC(O)CN(CC)CC
InChIInChI=1S/C12H24N2O2/c1-5-8-12(16)13(4)9-11(15)10-14(6-2)7-3/h5,8,11,15H,6-7,9-10H2,1-4H3/b8-5+
InChIKeyRYJOCMLCMMNRNV-VMPITWQZSA-N
MW228.34 g/mol
LogP0.72
Rot. Bonds7

About (E)-N-[3-(diethylamino)-2-hydroxypropyl]-N-methylbut-2-enamide

(E)-N-[3-(diethylamino)-2-hydroxypropyl]-N-methylbut-2-enamide (PubChem CID 90245858) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (E)-N-[3-(diethylamino)-2-hydroxypropyl]-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(diethylamino)-2-hydroxypropyl]-N-methylbut-2-enamide
PubChem CID90245858
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(E)-N-[3-(diethylamino)-2-hydroxypropyl]-N-methylbut-2-enamide
SMILESC/C=C/C(=O)N(C)CC(O)CN(CC)CC
InChIInChI=1S/C12H24N2O2/c1-5-8-12(16)13(4)9-11(15)10-14(6-2)7-3/h5,8,11,15H,6-7,9-10H2,1-4H3/b8-5+
InChIKeyRYJOCMLCMMNRNV-VMPITWQZSA-N
XLogP0.72
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N,N-bis(2-hydroxyethyl)hexa-2,4-dienamide
CID 44443274
1-(2-hydroxypropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 12858661
N-2-hydroxyethyl-N-methylcrotonamide
CID 60747686
(E)-4-(dimethylamino)-N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide
CID 146097671
(E)-N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide
CID 15325393
[3-[Dimethyl-[3-(prop-2-enoylamino)propyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium
CID 18914827
N,N-bis(2-hydroxypropyl)prop-2-enamide
CID 19437431
1-[2-Hydroxy-3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl]-3-methylpyrrole-2,5-dione
CID 19968753
N-[3-(diethylamino)-2-hydroxypropyl]prop-2-enamide
CID 20310799
N-(2-hydroxypropyl)-N-methylprop-2-enamide
CID 20748212
1,3-Bis-(n-acryloyl-n-propyl-amino)-2-hydroxypropane
CID 23132167
N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide
CID 53664444

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(diethylamino)-2-hydroxypropyl]-N-methylbut-2-enamide?
The IUPAC name of (E)-N-[3-(diethylamino)-2-hydroxypropyl]-N-methylbut-2-enamide (CID 90245858) is (E)-N-[3-(diethylamino)-2-hydroxypropyl]-N-methylbut-2-enamide.
What is the SMILES notation for (E)-N-[3-(diethylamino)-2-hydroxypropyl]-N-methylbut-2-enamide?
The canonical SMILES for (E)-N-[3-(diethylamino)-2-hydroxypropyl]-N-methylbut-2-enamide is C/C=C/C(=O)N(C)CC(O)CN(CC)CC.
What is the InChIKey of (E)-N-[3-(diethylamino)-2-hydroxypropyl]-N-methylbut-2-enamide?
The InChIKey is RYJOCMLCMMNRNV-VMPITWQZSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-8-12(16)13(4)9-11(15)10-14(6-2)7-3/h5,8,11,15H,6-7,9-10H2,1-4H3/b8-5+.
What are the key properties of (E)-N-[3-(diethylamino)-2-hydroxypropyl]-N-methylbut-2-enamide?
(E)-N-[3-(diethylamino)-2-hydroxypropyl]-N-methylbut-2-enamide has a molecular weight of 228.34 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(diethylamino)-2-hydroxypropyl]-N-methylbut-2-enamide is sourced from PubChem (CID 90245858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).