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

C18H37ClN2O2 — CID 3066153

IUPACN-(2-methylundecan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride
SMILESCCCCCCCCCC(C)(C)NC(=O)CN1CCOCC1.Cl
InChIInChI=1S/C18H36N2O2.ClH/c1-4-5-6-7-8-9-10-11-18(2,3)19-17(21)16-20-12-14-22-15-13-20;/h4-16H2,1-3H3,(H,19,21);1H
InChIKeyHCEHHFHYSSCJCV-UHFFFAOYSA-N
MW348.96 g/mol
LogP3.78
Rot. Bonds11

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

N-(2-methylundecan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride (PubChem CID 3066153) has the molecular formula C18H37ClN2O2 and a molecular weight of 348.96 g/mol. Its IUPAC name is N-(2-methylundecan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylundecan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride
PubChem CID3066153
Molecular FormulaC18H37ClN2O2
Molecular Weight348.96 g/mol
Exact Mass348.25
IUPAC NameN-(2-methylundecan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride
SMILESCCCCCCCCCC(C)(C)NC(=O)CN1CCOCC1.Cl
InChIInChI=1S/C18H36N2O2.ClH/c1-4-5-6-7-8-9-10-11-18(2,3)19-17(21)16-20-12-14-22-15-13-20;/h4-16H2,1-3H3,(H,19,21);1H
InChIKeyHCEHHFHYSSCJCV-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.96
LogP ≤ 53.78
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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Related Compounds

4-Morpholineacetamide, N-(1-methylcyclohexyl)-, hydrochloride
CID 3065771
4-Morpholineacetamide, N-(1,1-dimethylpentyl)-, hydrochloride
CID 3065793
4-Morpholineacetamide, N-(1,1,3-trimethylbutyl)-, hydrochloride
CID 3065801
4-Morpholineacetamide, N-(1,1-dimethylhexyl)-, hydrochloride
CID 3065921
4-Morpholineacetamide, N-(1,3,3,5-tetramethylcyclohexyl)-, hydrochloride
CID 3066034
1-Piperidineacetamide, N-(1,1-dimethyloctyl)-, hydrochloride
CID 3066142
1-Piperidineacetamide, N-(1,1-dimethylnonyl)-, hydrochloride
CID 3066151
4-Morpholineacetamide, N-(1,1-dimethylheptyl)-, hydrochloride
CID 3066157
1-Piperidineacetamide, N-(1,1-dimethyldecyl)-, hydrochloride
CID 3066165
1-Piperidineacetamide, N-(1,1-dimethylheptyl)-, hydrochloride
CID 3066181
4-Morpholineacetamide, N-(1,1-dimethyloctyl)-, hydrochloride
CID 3066183
4-Morpholineacetamide, N-(1-ethyl-1-methylpentyl)-, hydrochloride
CID 3066364

Frequently Asked Questions

What is the IUPAC name of N-(2-methylundecan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride?
The IUPAC name of N-(2-methylundecan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride (CID 3066153) is N-(2-methylundecan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2-methylundecan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-(2-methylundecan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride is CCCCCCCCCC(C)(C)NC(=O)CN1CCOCC1.Cl.
What is the InChIKey of N-(2-methylundecan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride?
The InChIKey is HCEHHFHYSSCJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2.ClH/c1-4-5-6-7-8-9-10-11-18(2,3)19-17(21)16-20-12-14-22-15-13-20;/h4-16H2,1-3H3,(H,19,21);1H.
What are the key properties of N-(2-methylundecan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride?
N-(2-methylundecan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride has a molecular weight of 348.96 g/mol, XLogP of 3.78, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylundecan-2-yl)-2-morpholin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 3066153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).