N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide

C14H28N2O2 — CID 3065922

IUPACN-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide
SMILESCCCCCC(C)(C)NC(=O)CN1CCOCC1
InChIInChI=1S/C14H28N2O2/c1-4-5-6-7-14(2,3)15-13(17)12-16-8-10-18-11-9-16/h4-12H2,1-3H3,(H,15,17)
InChIKeyLMBDTMZUNIJZDS-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.79
Rot. Bonds7

About N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide

N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide (PubChem CID 3065922) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide
PubChem CID3065922
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide
SMILESCCCCCC(C)(C)NC(=O)CN1CCOCC1
InChIInChI=1S/C14H28N2O2/c1-4-5-6-7-14(2,3)15-13(17)12-16-8-10-18-11-9-16/h4-12H2,1-3H3,(H,15,17)
InChIKeyLMBDTMZUNIJZDS-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.79
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-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide (CID 3065922) is N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide is CCCCCC(C)(C)NC(=O)CN1CCOCC1.
What is the InChIKey of N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide?
The InChIKey is LMBDTMZUNIJZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-5-6-7-14(2,3)15-13(17)12-16-8-10-18-11-9-16/h4-12H2,1-3H3,(H,15,17).
What are the key properties of N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide?
N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide has a molecular weight of 256.39 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 3065922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).