N-[2-hydroxy-3-[prop-2-enoyl(propyl)amino]propyl]-N-propylprop-2-enamide

C15H26N2O3 — CID 23132167

IUPACN-[2-hydroxy-3-[prop-2-enoyl(propyl)amino]propyl]-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)CC(O)CN(CCC)C(=O)C=C
InChIInChI=1S/C15H26N2O3/c1-5-9-16(14(19)7-3)11-13(18)12-17(10-6-2)15(20)8-4/h7-8,13,18H,3-6,9-12H2,1-2H3
InChIKeyVKJVMPIJWUIYJR-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.20
Rot. Bonds10

About N-[2-hydroxy-3-[prop-2-enoyl(propyl)amino]propyl]-N-propylprop-2-enamide

N-[2-hydroxy-3-[prop-2-enoyl(propyl)amino]propyl]-N-propylprop-2-enamide (PubChem CID 23132167) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[2-hydroxy-3-[prop-2-enoyl(propyl)amino]propyl]-N-propylprop-2-enamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[prop-2-enoyl(propyl)amino]propyl]-N-propylprop-2-enamide
PubChem CID23132167
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-[2-hydroxy-3-[prop-2-enoyl(propyl)amino]propyl]-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)CC(O)CN(CCC)C(=O)C=C
InChIInChI=1S/C15H26N2O3/c1-5-9-16(14(19)7-3)11-13(18)12-17(10-6-2)15(20)8-4/h7-8,13,18H,3-6,9-12H2,1-2H3
InChIKeyVKJVMPIJWUIYJR-UHFFFAOYSA-N
XLogP1.20
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.20
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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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[prop-2-enoyl(propyl)amino]propyl]-N-propylprop-2-enamide?
The IUPAC name of N-[2-hydroxy-3-[prop-2-enoyl(propyl)amino]propyl]-N-propylprop-2-enamide (CID 23132167) is N-[2-hydroxy-3-[prop-2-enoyl(propyl)amino]propyl]-N-propylprop-2-enamide.
What is the SMILES notation for N-[2-hydroxy-3-[prop-2-enoyl(propyl)amino]propyl]-N-propylprop-2-enamide?
The canonical SMILES for N-[2-hydroxy-3-[prop-2-enoyl(propyl)amino]propyl]-N-propylprop-2-enamide is C=CC(=O)N(CCC)CC(O)CN(CCC)C(=O)C=C.
What is the InChIKey of N-[2-hydroxy-3-[prop-2-enoyl(propyl)amino]propyl]-N-propylprop-2-enamide?
The InChIKey is VKJVMPIJWUIYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-9-16(14(19)7-3)11-13(18)12-17(10-6-2)15(20)8-4/h7-8,13,18H,3-6,9-12H2,1-2H3.
What are the key properties of N-[2-hydroxy-3-[prop-2-enoyl(propyl)amino]propyl]-N-propylprop-2-enamide?
N-[2-hydroxy-3-[prop-2-enoyl(propyl)amino]propyl]-N-propylprop-2-enamide has a molecular weight of 282.38 g/mol, XLogP of 1.20, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[prop-2-enoyl(propyl)amino]propyl]-N-propylprop-2-enamide is sourced from PubChem (CID 23132167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).