N-benzyl-4-methyl-2-morpholin-4-ylpent-4-enamide

C17H24N2O2 — CID 4262960

IUPACN-benzyl-4-methyl-2-morpholin-4-ylpent-4-enamide
SMILESC=C(C)CC(C(=O)NCc1ccccc1)N1CCOCC1
InChIInChI=1S/C17H24N2O2/c1-14(2)12-16(19-8-10-21-11-9-19)17(20)18-13-15-6-4-3-5-7-15/h3-7,16H,1,8-13H2,2H3,(H,18,20)
InChIKeyRMHXNMCOTGHYFG-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.97
Rot. Bonds6

About N-benzyl-4-methyl-2-morpholin-4-ylpent-4-enamide

N-benzyl-4-methyl-2-morpholin-4-ylpent-4-enamide (PubChem CID 4262960) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-morpholin-4-ylpent-4-enamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-morpholin-4-ylpent-4-enamide
PubChem CID4262960
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-benzyl-4-methyl-2-morpholin-4-ylpent-4-enamide
SMILESC=C(C)CC(C(=O)NCc1ccccc1)N1CCOCC1
InChIInChI=1S/C17H24N2O2/c1-14(2)12-16(19-8-10-21-11-9-19)17(20)18-13-15-6-4-3-5-7-15/h3-7,16H,1,8-13H2,2H3,(H,18,20)
InChIKeyRMHXNMCOTGHYFG-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-morpholin-4-ylpent-4-enamide?
The IUPAC name of N-benzyl-4-methyl-2-morpholin-4-ylpent-4-enamide (CID 4262960) is N-benzyl-4-methyl-2-morpholin-4-ylpent-4-enamide.
What is the SMILES notation for N-benzyl-4-methyl-2-morpholin-4-ylpent-4-enamide?
The canonical SMILES for N-benzyl-4-methyl-2-morpholin-4-ylpent-4-enamide is C=C(C)CC(C(=O)NCc1ccccc1)N1CCOCC1.
What is the InChIKey of N-benzyl-4-methyl-2-morpholin-4-ylpent-4-enamide?
The InChIKey is RMHXNMCOTGHYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-14(2)12-16(19-8-10-21-11-9-19)17(20)18-13-15-6-4-3-5-7-15/h3-7,16H,1,8-13H2,2H3,(H,18,20).
What are the key properties of N-benzyl-4-methyl-2-morpholin-4-ylpent-4-enamide?
N-benzyl-4-methyl-2-morpholin-4-ylpent-4-enamide has a molecular weight of 288.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-morpholin-4-ylpent-4-enamide is sourced from PubChem (CID 4262960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).