N-(2-morpholin-4-ylpentyl)prop-2-enamide

C12H22N2O2 — CID 54237816

IUPACN-(2-morpholin-4-ylpentyl)prop-2-enamide
SMILESC=CC(=O)NCC(CCC)N1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-3-5-11(10-13-12(15)4-2)14-6-8-16-9-7-14/h4,11H,2-3,5-10H2,1H3,(H,13,15)
InChIKeyQNVBVQLXROGNIY-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.79
Rot. Bonds6

About N-(2-morpholin-4-ylpentyl)prop-2-enamide

N-(2-morpholin-4-ylpentyl)prop-2-enamide (PubChem CID 54237816) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-morpholin-4-ylpentyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylpentyl)prop-2-enamide
PubChem CID54237816
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-morpholin-4-ylpentyl)prop-2-enamide
SMILESC=CC(=O)NCC(CCC)N1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-3-5-11(10-13-12(15)4-2)14-6-8-16-9-7-14/h4,11H,2-3,5-10H2,1H3,(H,13,15)
InChIKeyQNVBVQLXROGNIY-UHFFFAOYSA-N
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.79
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-morpholin-4-ylpentyl)prop-2-enamide?
The IUPAC name of N-(2-morpholin-4-ylpentyl)prop-2-enamide (CID 54237816) is N-(2-morpholin-4-ylpentyl)prop-2-enamide.
What is the SMILES notation for N-(2-morpholin-4-ylpentyl)prop-2-enamide?
The canonical SMILES for N-(2-morpholin-4-ylpentyl)prop-2-enamide is C=CC(=O)NCC(CCC)N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylpentyl)prop-2-enamide?
The InChIKey is QNVBVQLXROGNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-5-11(10-13-12(15)4-2)14-6-8-16-9-7-14/h4,11H,2-3,5-10H2,1H3,(H,13,15).
What are the key properties of N-(2-morpholin-4-ylpentyl)prop-2-enamide?
N-(2-morpholin-4-ylpentyl)prop-2-enamide has a molecular weight of 226.32 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylpentyl)prop-2-enamide is sourced from PubChem (CID 54237816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).