N-methyl-2-morpholin-2-yl-N-pent-4-enylacetamide

C12H22N2O2 — CID 115740368

IUPACN-methyl-2-morpholin-2-yl-N-pent-4-enylacetamide
SMILESC=CCCCN(C)C(=O)CC1CNCCO1
InChIInChI=1S/C12H22N2O2/c1-3-4-5-7-14(2)12(15)9-11-10-13-6-8-16-11/h3,11,13H,1,4-10H2,2H3
InChIKeyUMSZPHTYHNBKMM-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.79
Rot. Bonds6

About N-methyl-2-morpholin-2-yl-N-pent-4-enylacetamide

N-methyl-2-morpholin-2-yl-N-pent-4-enylacetamide (PubChem CID 115740368) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-methyl-2-morpholin-2-yl-N-pent-4-enylacetamide.

Molecular Properties

Compound NameN-methyl-2-morpholin-2-yl-N-pent-4-enylacetamide
PubChem CID115740368
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-methyl-2-morpholin-2-yl-N-pent-4-enylacetamide
SMILESC=CCCCN(C)C(=O)CC1CNCCO1
InChIInChI=1S/C12H22N2O2/c1-3-4-5-7-14(2)12(15)9-11-10-13-6-8-16-11/h3,11,13H,1,4-10H2,2H3
InChIKeyUMSZPHTYHNBKMM-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-morpholin-2-yl-N-pent-4-enylacetamide?
The IUPAC name of N-methyl-2-morpholin-2-yl-N-pent-4-enylacetamide (CID 115740368) is N-methyl-2-morpholin-2-yl-N-pent-4-enylacetamide.
What is the SMILES notation for N-methyl-2-morpholin-2-yl-N-pent-4-enylacetamide?
The canonical SMILES for N-methyl-2-morpholin-2-yl-N-pent-4-enylacetamide is C=CCCCN(C)C(=O)CC1CNCCO1.
What is the InChIKey of N-methyl-2-morpholin-2-yl-N-pent-4-enylacetamide?
The InChIKey is UMSZPHTYHNBKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-4-5-7-14(2)12(15)9-11-10-13-6-8-16-11/h3,11,13H,1,4-10H2,2H3.
What are the key properties of N-methyl-2-morpholin-2-yl-N-pent-4-enylacetamide?
N-methyl-2-morpholin-2-yl-N-pent-4-enylacetamide 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-methyl-2-morpholin-2-yl-N-pent-4-enylacetamide is sourced from PubChem (CID 115740368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).