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

C14H29ClN2O2 — CID 3065921

IUPACN-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride
SMILESCCCCCC(C)(C)NC(=O)CN1CCOCC1.Cl
InChIInChI=1S/C14H28N2O2.ClH/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);1H
InChIKeyHQOBKOZXXZNTPA-UHFFFAOYSA-N
MW292.85 g/mol
LogP2.22
Rot. Bonds7

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

N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride (PubChem CID 3065921) has the molecular formula C14H29ClN2O2 and a molecular weight of 292.85 g/mol. Its IUPAC name is N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride
PubChem CID3065921
Molecular FormulaC14H29ClN2O2
Molecular Weight292.85 g/mol
Exact Mass292.19
IUPAC NameN-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride
SMILESCCCCCC(C)(C)NC(=O)CN1CCOCC1.Cl
InChIInChI=1S/C14H28N2O2.ClH/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);1H
InChIKeyHQOBKOZXXZNTPA-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 52.22
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;hydrochloride?
The IUPAC name of N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride (CID 3065921) is N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride is CCCCCC(C)(C)NC(=O)CN1CCOCC1.Cl.
What is the InChIKey of N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride?
The InChIKey is HQOBKOZXXZNTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2.ClH/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);1H.
What are the key properties of N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride?
N-(2-methylheptan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride has a molecular weight of 292.85 g/mol, XLogP of 2.22, 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;hydrochloride is sourced from PubChem (CID 3065921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).