N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide

C13H22N2O — CID 124623956

IUPACN-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide
SMILESC#CCN(C)CC(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C13H22N2O/c1-4-9-15(3)10-13(16)14-12-8-6-5-7-11(12)2/h1,11-12H,5-10H2,2-3H3,(H,14,16)/t11-,12-/m1/s1
InChIKeyXRDKHCJIOMNLFH-VXGBXAGGSA-N
MW222.33 g/mol
LogP1.25
Rot. Bonds4

About N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide

N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide (PubChem CID 124623956) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide
PubChem CID124623956
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide
SMILESC#CCN(C)CC(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C13H22N2O/c1-4-9-15(3)10-13(16)14-12-8-6-5-7-11(12)2/h1,11-12H,5-10H2,2-3H3,(H,14,16)/t11-,12-/m1/s1
InChIKeyXRDKHCJIOMNLFH-VXGBXAGGSA-N
XLogP1.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate
CID 60660214
N-cyclopropyl-2-[methyl(prop-2-ynyl)amino]acetamide
CID 60670124
2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 60616778
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
CID 99614050
2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
CID 62637591
2-[(4-bromophenyl)methyl-methylamino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8709638
N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 11934719
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9167461
N-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 11939314
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 95345385
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 8559717

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide (CID 124623956) is N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide is C#CCN(C)CC(=O)N[C@@H]1CCCC[C@H]1C.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide?
The InChIKey is XRDKHCJIOMNLFH-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-9-15(3)10-13(16)14-12-8-6-5-7-11(12)2/h1,11-12H,5-10H2,2-3H3,(H,14,16)/t11-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide?
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide has a molecular weight of 222.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide is sourced from PubChem (CID 124623956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).