N-[(4-acetylmorpholin-2-yl)methyl]hexanamide

C13H24N2O3 — CID 56759816

IUPACN-[(4-acetylmorpholin-2-yl)methyl]hexanamide
SMILESCCCCCC(=O)NCC1CN(C(C)=O)CCO1
InChIInChI=1S/C13H24N2O3/c1-3-4-5-6-13(17)14-9-12-10-15(11(2)16)7-8-18-12/h12H,3-10H2,1-2H3,(H,14,17)
InChIKeyCDDNQXOLKCJJOS-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.93
Rot. Bonds6

About N-[(4-acetylmorpholin-2-yl)methyl]hexanamide

N-[(4-acetylmorpholin-2-yl)methyl]hexanamide (PubChem CID 56759816) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(4-acetylmorpholin-2-yl)methyl]hexanamide.

Molecular Properties

Compound NameN-[(4-acetylmorpholin-2-yl)methyl]hexanamide
PubChem CID56759816
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[(4-acetylmorpholin-2-yl)methyl]hexanamide
SMILESCCCCCC(=O)NCC1CN(C(C)=O)CCO1
InChIInChI=1S/C13H24N2O3/c1-3-4-5-6-13(17)14-9-12-10-15(11(2)16)7-8-18-12/h12H,3-10H2,1-2H3,(H,14,17)
InChIKeyCDDNQXOLKCJJOS-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylmorpholin-2-yl)methyl]hexanamide?
The IUPAC name of N-[(4-acetylmorpholin-2-yl)methyl]hexanamide (CID 56759816) is N-[(4-acetylmorpholin-2-yl)methyl]hexanamide.
What is the SMILES notation for N-[(4-acetylmorpholin-2-yl)methyl]hexanamide?
The canonical SMILES for N-[(4-acetylmorpholin-2-yl)methyl]hexanamide is CCCCCC(=O)NCC1CN(C(C)=O)CCO1.
What is the InChIKey of N-[(4-acetylmorpholin-2-yl)methyl]hexanamide?
The InChIKey is CDDNQXOLKCJJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-4-5-6-13(17)14-9-12-10-15(11(2)16)7-8-18-12/h12H,3-10H2,1-2H3,(H,14,17).
What are the key properties of N-[(4-acetylmorpholin-2-yl)methyl]hexanamide?
N-[(4-acetylmorpholin-2-yl)methyl]hexanamide has a molecular weight of 256.35 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetylmorpholin-2-yl)methyl]hexanamide is sourced from PubChem (CID 56759816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).