(E)-N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide

C13H24N2O2 — CID 56720081

IUPAC(E)-N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide
SMILESC/C=C/CC(=O)NCCC1CN(CC)CCO1
InChIInChI=1S/C13H24N2O2/c1-3-5-6-13(16)14-8-7-12-11-15(4-2)9-10-17-12/h3,5,12H,4,6-11H2,1-2H3,(H,14,16)/b5-3+
InChIKeyCSPKIUHWHKFKRA-HWKANZROSA-N
MW240.35 g/mol
LogP1.18
Rot. Bonds6

About (E)-N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide

(E)-N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide (PubChem CID 56720081) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (E)-N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide
PubChem CID56720081
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(E)-N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide
SMILESC/C=C/CC(=O)NCCC1CN(CC)CCO1
InChIInChI=1S/C13H24N2O2/c1-3-5-6-13(16)14-8-7-12-11-15(4-2)9-10-17-12/h3,5,12H,4,6-11H2,1-2H3,(H,14,16)/b5-3+
InChIKeyCSPKIUHWHKFKRA-HWKANZROSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-morpholin-4-ylethyl)docosa-4,7,10,13,16,19-hexaenamide
CID 72193569
(E)-N-methyl-5-morpholin-4-ylpent-2-enamide
CID 89242762
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(3-morpholin-4-ylpropyl)docosa-4,7,10,13,16,19-hexaenamide
CID 90071115
N-methyl-5-morpholin-4-ylpent-2-enamide
CID 91163558
(E)-N-methyl-5-morpholin-4-ylpent-3-enamide
CID 118408620
N-(3-morpholin-4-ylpropyl)docosa-4,7,10,13,16,19-hexaenamide
CID 123475563
N-(2-morpholin-4-ylethyl)docosa-4,7,10,13,16,19-hexaenamide
CID 124036555
(Z)-N-[2-(2-aminoethoxy)ethyl]hex-3-enamide
CID 168852483
2,2-dimethyl-N-[2-[4-[(E)-2-methylbut-2-enyl]morpholin-2-yl]ethyl]propanamide
CID 56720862
N-(2-piperidin-4-yloxyethyl)but-3-enamide
CID 63871106
N-(2-piperidin-4-yloxyethyl)pent-4-enamide
CID 63871773
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopent-3-ene-1-carboxamide
CID 71857956

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide?
The IUPAC name of (E)-N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide (CID 56720081) is (E)-N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide.
What is the SMILES notation for (E)-N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide?
The canonical SMILES for (E)-N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide is C/C=C/CC(=O)NCCC1CN(CC)CCO1.
What is the InChIKey of (E)-N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide?
The InChIKey is CSPKIUHWHKFKRA-HWKANZROSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-5-6-13(16)14-8-7-12-11-15(4-2)9-10-17-12/h3,5,12H,4,6-11H2,1-2H3,(H,14,16)/b5-3+.
What are the key properties of (E)-N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide?
(E)-N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide has a molecular weight of 240.35 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide is sourced from PubChem (CID 56720081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).