N-(3-morpholin-4-ylbutyl)prop-2-enamide

C11H20N2O2 — CID 54301471

IUPACN-(3-morpholin-4-ylbutyl)prop-2-enamide
SMILESC=CC(=O)NCCC(C)N1CCOCC1
InChIInChI=1S/C11H20N2O2/c1-3-11(14)12-5-4-10(2)13-6-8-15-9-7-13/h3,10H,1,4-9H2,2H3,(H,12,14)
InChIKeySEMXFXSYRQPKBR-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.40
Rot. Bonds5

About N-(3-morpholin-4-ylbutyl)prop-2-enamide

N-(3-morpholin-4-ylbutyl)prop-2-enamide (PubChem CID 54301471) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(3-morpholin-4-ylbutyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylbutyl)prop-2-enamide
PubChem CID54301471
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(3-morpholin-4-ylbutyl)prop-2-enamide
SMILESC=CC(=O)NCCC(C)N1CCOCC1
InChIInChI=1S/C11H20N2O2/c1-3-11(14)12-5-4-10(2)13-6-8-15-9-7-13/h3,10H,1,4-9H2,2H3,(H,12,14)
InChIKeySEMXFXSYRQPKBR-UHFFFAOYSA-N
XLogP0.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.40
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-(3-morpholin-4-ylbutyl)prop-2-enamide?
The IUPAC name of N-(3-morpholin-4-ylbutyl)prop-2-enamide (CID 54301471) is N-(3-morpholin-4-ylbutyl)prop-2-enamide.
What is the SMILES notation for N-(3-morpholin-4-ylbutyl)prop-2-enamide?
The canonical SMILES for N-(3-morpholin-4-ylbutyl)prop-2-enamide is C=CC(=O)NCCC(C)N1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylbutyl)prop-2-enamide?
The InChIKey is SEMXFXSYRQPKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-11(14)12-5-4-10(2)13-6-8-15-9-7-13/h3,10H,1,4-9H2,2H3,(H,12,14).
What are the key properties of N-(3-morpholin-4-ylbutyl)prop-2-enamide?
N-(3-morpholin-4-ylbutyl)prop-2-enamide has a molecular weight of 212.29 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylbutyl)prop-2-enamide is sourced from PubChem (CID 54301471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).