2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride

C16H31ClN2O2 — CID 120795689

IUPAC2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride
SMILESCC(C)C1CCC(NC(=O)C(N)C2CCOCC2)CC1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-11(2)12-3-5-14(6-4-12)18-16(19)15(17)13-7-9-20-10-8-13;/h11-15H,3-10,17H2,1-2H3,(H,18,19);1H
InChIKeyRYGOROXLESZUDC-UHFFFAOYSA-N
MW318.89 g/mol
LogP2.49
Rot. Bonds4

About 2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride

2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride (PubChem CID 120795689) has the molecular formula C16H31ClN2O2 and a molecular weight of 318.89 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride
PubChem CID120795689
Molecular FormulaC16H31ClN2O2
Molecular Weight318.89 g/mol
Exact Mass318.21
IUPAC Name2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride
SMILESCC(C)C1CCC(NC(=O)C(N)C2CCOCC2)CC1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-11(2)12-3-5-14(6-4-12)18-16(19)15(17)13-7-9-20-10-8-13;/h11-15H,3-10,17H2,1-2H3,(H,18,19);1H
InChIKeyRYGOROXLESZUDC-UHFFFAOYSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-cyclooctyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783011
2-amino-N-(1-cyclopentylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792981
2-amino-N-(3-methylbutan-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783425
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800981
2-amino-N-cyclopentyl-2-cyclopropylacetamide
CID 130870089
2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794307
2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120801531
2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride
CID 120800093
2-amino-N',N'-dimethyl-2-(oxan-4-yl)acetohydrazide
CID 116849875
2-amino-N-(3-ethylcyclohexyl)-2-(oxan-4-yl)acetamide
CID 120794016
(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 61154415
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride (CID 120795689) is 2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride is CC(C)C1CCC(NC(=O)C(N)C2CCOCC2)CC1.Cl.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride?
The InChIKey is RYGOROXLESZUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.ClH/c1-11(2)12-3-5-14(6-4-12)18-16(19)15(17)13-7-9-20-10-8-13;/h11-15H,3-10,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride?
2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride is sourced from PubChem (CID 120795689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).