(E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]but-2-enamide

C11H22N2O2 — CID 90245570

IUPAC(E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]but-2-enamide
SMILESC/C=C/C(=O)NCC(O)CN(C)CCC
InChIInChI=1S/C11H22N2O2/c1-4-6-11(15)12-8-10(14)9-13(3)7-5-2/h4,6,10,14H,5,7-9H2,1-3H3,(H,12,15)/b6-4+
InChIKeyZYUXHSAFDHXNEW-GQCTYLIASA-N
MW214.31 g/mol
LogP0.38
Rot. Bonds7

About (E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]but-2-enamide

(E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]but-2-enamide (PubChem CID 90245570) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]but-2-enamide
PubChem CID90245570
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]but-2-enamide
SMILESC/C=C/C(=O)NCC(O)CN(C)CCC
InChIInChI=1S/C11H22N2O2/c1-4-6-11(15)12-8-10(14)9-13(3)7-5-2/h4,6,10,14H,5,7-9H2,1-3H3,(H,12,15)/b6-4+
InChIKeyZYUXHSAFDHXNEW-GQCTYLIASA-N
XLogP0.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
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-(2-hydroxyethyl)hexa-2,4-dienamide
CID 13405142
N,N'-Bis(2-hydroxyethyl)-N'-acryloyl-1,3-diaminopropane
CID 131338
N,N'-(2-hydroxypropane-1,3-diyl)bis(2-methylprop-2-enamide)
CID 20205156
N-(2-hydroxypropyl)acrylamide
CID 10197698
N-2-hydroxyethylcrotonamide
CID 17765019
2-Hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 172681
2-Hydroxy-N1,N1,N1,N3,N3-pentamethyl-N3-{3-[(2-methylacryloyl)amino]propyl}propane-1,3-bis(aminium)
CID 13177837
(z)-3-((2-hydroxypropyl)amino)-N,N-dimethylbut-2-enamide
CID 168654922
(E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide
CID 103755858
(E)-N-(3,3-difluoro-2-hydroxypropyl)but-2-enamide
CID 103769589
[3-[Dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium
CID 138394841
N-[3-[bis(1-hydroxyethyl)amino]propyl]prop-2-enamide
CID 9855905

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]but-2-enamide?
The IUPAC name of (E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]but-2-enamide (CID 90245570) is (E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]but-2-enamide is C/C=C/C(=O)NCC(O)CN(C)CCC.
What is the InChIKey of (E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]but-2-enamide?
The InChIKey is ZYUXHSAFDHXNEW-GQCTYLIASA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-6-11(15)12-8-10(14)9-13(3)7-5-2/h4,6,10,14H,5,7-9H2,1-3H3,(H,12,15)/b6-4+.
What are the key properties of (E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]but-2-enamide?
(E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]but-2-enamide has a molecular weight of 214.31 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]but-2-enamide is sourced from PubChem (CID 90245570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).