N-methyl-N-(4-methylcyclohexyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

C15H29ClN2O2 — CID 119689914

IUPACN-methyl-N-(4-methylcyclohexyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCC1CCC(N(C)C(=O)CNCC2CCCO2)CC1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-12-5-7-13(8-6-12)17(2)15(18)11-16-10-14-4-3-9-19-14;/h12-14,16H,3-11H2,1-2H3;1H
InChIKeyXGYWDECZDFPGRJ-UHFFFAOYSA-N
MW304.86 g/mol
LogP2.21
Rot. Bonds5

About N-methyl-N-(4-methylcyclohexyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

N-methyl-N-(4-methylcyclohexyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (PubChem CID 119689914) has the molecular formula C15H29ClN2O2 and a molecular weight of 304.86 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
PubChem CID119689914
Molecular FormulaC15H29ClN2O2
Molecular Weight304.86 g/mol
Exact Mass304.19
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCC1CCC(N(C)C(=O)CNCC2CCCO2)CC1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-12-5-7-13(8-6-12)17(2)15(18)11-16-10-14-4-3-9-19-14;/h12-14,16H,3-11H2,1-2H3;1H
InChIKeyXGYWDECZDFPGRJ-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-methyl-2-[(4-methylcyclohexyl)methylamino]acetamide
CID 55173315
N-methyl-2-(oxolan-2-ylmethylamino)-N-propan-2-ylacetamide
CID 43180164
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine
CID 107411733
methyl 2-[[(2R)-oxolan-2-yl]methylamino]acetate
CID 28585559
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide
CID 119691955
N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119683651
N-methyl-N-[(2-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119681688
2-(cyclopropylmethylamino)-N-methyl-N-(oxan-2-ylmethyl)acetamide;hydrochloride
CID 119746345
oxalic acid;N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 175652932
N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119672529
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (CID 119689914) is N-methyl-N-(4-methylcyclohexyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is CC1CCC(N(C)C(=O)CNCC2CCCO2)CC1.Cl.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The InChIKey is XGYWDECZDFPGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2.ClH/c1-12-5-7-13(8-6-12)17(2)15(18)11-16-10-14-4-3-9-19-14;/h12-14,16H,3-11H2,1-2H3;1H.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
N-methyl-N-(4-methylcyclohexyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride has a molecular weight of 304.86 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119689914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).