(2E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]penta-2,4-dienamide

C12H22N2O2 — CID 90245814

IUPAC(2E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]penta-2,4-dienamide
SMILESC=C/C=C/C(=O)NCC(O)CN(C)CCC
InChIInChI=1S/C12H22N2O2/c1-4-6-7-12(16)13-9-11(15)10-14(3)8-5-2/h4,6-7,11,15H,1,5,8-10H2,2-3H3,(H,13,16)/b7-6+
InChIKeyFKGOMIQHCFPPHR-VOTSOKGWSA-N
MW226.32 g/mol
LogP0.55
Rot. Bonds8

About (2E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]penta-2,4-dienamide

(2E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]penta-2,4-dienamide (PubChem CID 90245814) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]penta-2,4-dienamide
PubChem CID90245814
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]penta-2,4-dienamide
SMILESC=C/C=C/C(=O)NCC(O)CN(C)CCC
InChIInChI=1S/C12H22N2O2/c1-4-6-7-12(16)13-9-11(15)10-14(3)8-5-2/h4,6-7,11,15H,1,5,8-10H2,2-3H3,(H,13,16)/b7-6+
InChIKeyFKGOMIQHCFPPHR-VOTSOKGWSA-N
XLogP0.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]penta-2,4-dienamide?
The IUPAC name of (2E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]penta-2,4-dienamide (CID 90245814) is (2E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]penta-2,4-dienamide?
The canonical SMILES for (2E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]penta-2,4-dienamide is C=C/C=C/C(=O)NCC(O)CN(C)CCC.
What is the InChIKey of (2E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]penta-2,4-dienamide?
The InChIKey is FKGOMIQHCFPPHR-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-6-7-12(16)13-9-11(15)10-14(3)8-5-2/h4,6-7,11,15H,1,5,8-10H2,2-3H3,(H,13,16)/b7-6+.
What are the key properties of (2E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]penta-2,4-dienamide?
(2E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]penta-2,4-dienamide has a molecular weight of 226.32 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]penta-2,4-dienamide is sourced from PubChem (CID 90245814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).