N-[3-[methyl(2-propoxyethyl)amino]propyl]prop-2-enamide

C12H24N2O2 — CID 129275451

IUPACN-[3-[methyl(2-propoxyethyl)amino]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN(C)CCOCCC
InChIInChI=1S/C12H24N2O2/c1-4-10-16-11-9-14(3)8-6-7-13-12(15)5-2/h5H,2,4,6-11H2,1,3H3,(H,13,15)
InChIKeyKBMMEJLOVGIORP-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.04
Rot. Bonds10

About N-[3-[methyl(2-propoxyethyl)amino]propyl]prop-2-enamide

N-[3-[methyl(2-propoxyethyl)amino]propyl]prop-2-enamide (PubChem CID 129275451) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[3-[methyl(2-propoxyethyl)amino]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[methyl(2-propoxyethyl)amino]propyl]prop-2-enamide
PubChem CID129275451
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[3-[methyl(2-propoxyethyl)amino]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN(C)CCOCCC
InChIInChI=1S/C12H24N2O2/c1-4-10-16-11-9-14(3)8-6-7-13-12(15)5-2/h5H,2,4,6-11H2,1,3H3,(H,13,15)
InChIKeyKBMMEJLOVGIORP-UHFFFAOYSA-N
XLogP1.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(2-propoxyethyl)amino]propyl]prop-2-enamide?
The IUPAC name of N-[3-[methyl(2-propoxyethyl)amino]propyl]prop-2-enamide (CID 129275451) is N-[3-[methyl(2-propoxyethyl)amino]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[methyl(2-propoxyethyl)amino]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[methyl(2-propoxyethyl)amino]propyl]prop-2-enamide is C=CC(=O)NCCCN(C)CCOCCC.
What is the InChIKey of N-[3-[methyl(2-propoxyethyl)amino]propyl]prop-2-enamide?
The InChIKey is KBMMEJLOVGIORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-10-16-11-9-14(3)8-6-7-13-12(15)5-2/h5H,2,4,6-11H2,1,3H3,(H,13,15).
What are the key properties of N-[3-[methyl(2-propoxyethyl)amino]propyl]prop-2-enamide?
N-[3-[methyl(2-propoxyethyl)amino]propyl]prop-2-enamide has a molecular weight of 228.34 g/mol, XLogP of 1.04, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(2-propoxyethyl)amino]propyl]prop-2-enamide is sourced from PubChem (CID 129275451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).