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

C13H27ClN2O2 — CID 3065793

IUPACN-(2-methylhexan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride
SMILESCCCCC(C)(C)NC(=O)CN1CCOCC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-4-5-6-13(2,3)14-12(16)11-15-7-9-17-10-8-15;/h4-11H2,1-3H3,(H,14,16);1H
InChIKeyLIKJUAYQTPZAPT-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.83
Rot. Bonds6

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

N-(2-methylhexan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride (PubChem CID 3065793) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is N-(2-methylhexan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylhexan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride
PubChem CID3065793
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC NameN-(2-methylhexan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride
SMILESCCCCC(C)(C)NC(=O)CN1CCOCC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-4-5-6-13(2,3)14-12(16)11-15-7-9-17-10-8-15;/h4-11H2,1-3H3,(H,14,16);1H
InChIKeyLIKJUAYQTPZAPT-UHFFFAOYSA-N
XLogP1.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperidineacetamide, N-(1,1-dimethylpentyl)-, hydrochloride
CID 3065937
4-Morpholineacetamide, N-(1-methylcyclohexyl)-, hydrochloride
CID 3065771
4-Morpholineacetamide, N-(1,1,3-trimethylbutyl)-, hydrochloride
CID 3065801
4-Morpholineacetamide, N-(1-ethyl-1-methylpropyl)-, hydrochloride
CID 3065837
4-Morpholineacetamide, N-(1,1-dimethylhexyl)-, hydrochloride
CID 3065921
4-Morpholineacetamide, N-(1,1-dimethyldecyl)-, hydrochloride
CID 3066153
4-Morpholineacetamide, N-(1,1-dimethylheptyl)-, hydrochloride
CID 3066157
1-Piperidineacetamide, N-(1,1,4-trimethylpentyl)-, hydrochloride
CID 3066159
4-Morpholineacetamide, N-(1,1-dimethyloctyl)-, hydrochloride
CID 3066183
4-Morpholineacetamide, alpha-methyl-N-(1,1,3,3-tetramethylbutyl)-, hydrochloride
CID 3066192
4-Morpholineacetamide, N-(1-ethyl-1-methylpentyl)-, hydrochloride
CID 3066364
4-Morpholineacetamide, N-(1,1,4-trimethylpentyl)-, hydrochloride
CID 3066525

Frequently Asked Questions

What is the IUPAC name of N-(2-methylhexan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride?
The IUPAC name of N-(2-methylhexan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride (CID 3065793) is N-(2-methylhexan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2-methylhexan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-(2-methylhexan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride is CCCCC(C)(C)NC(=O)CN1CCOCC1.Cl.
What is the InChIKey of N-(2-methylhexan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride?
The InChIKey is LIKJUAYQTPZAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-4-5-6-13(2,3)14-12(16)11-15-7-9-17-10-8-15;/h4-11H2,1-3H3,(H,14,16);1H.
What are the key properties of N-(2-methylhexan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride?
N-(2-methylhexan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylhexan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 3065793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).