N-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide

C17H29N3O2 — CID 100841944

IUPACN-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCCn1ccnc1
InChIInChI=1S/C17H29N3O2/c1-13(2)15-5-4-14(3)10-16(15)22-11-17(21)19-7-9-20-8-6-18-12-20/h6,8,12-16H,4-5,7,9-11H2,1-3H3,(H,19,21)/t14-,15+,16+/m1/s1
InChIKeyFWGMYKJUNJHWHJ-PMPSAXMXSA-N
MW307.44 g/mol
LogP2.48
Rot. Bonds7

About N-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide

N-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide (PubChem CID 100841944) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
PubChem CID100841944
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCCn1ccnc1
InChIInChI=1S/C17H29N3O2/c1-13(2)15-5-4-14(3)10-16(15)22-11-17(21)19-7-9-20-8-6-18-12-20/h6,8,12-16H,4-5,7,9-11H2,1-3H3,(H,19,21)/t14-,15+,16+/m1/s1
InChIKeyFWGMYKJUNJHWHJ-PMPSAXMXSA-N
XLogP2.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide with MolForge

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Related Compounds

1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazole
CID 122394696
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 59992252
N-[2-(methylamino)propyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 120829592
N-(2-imidazol-1-ylethyl)-2-methoxyacetamide
CID 60724975
N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 61071274
2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 51725876
N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide
CID 51671329
propan-2-yl N-(2-imidazol-1-ylethyl)carbamate
CID 116654702
1-(2,3-dihydropyrrol-1-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone
CID 23050655

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide (CID 100841944) is N-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide is CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCCn1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
The InChIKey is FWGMYKJUNJHWHJ-PMPSAXMXSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13(2)15-5-4-14(3)10-16(15)22-11-17(21)19-7-9-20-8-6-18-12-20/h6,8,12-16H,4-5,7,9-11H2,1-3H3,(H,19,21)/t14-,15+,16+/m1/s1.
What are the key properties of N-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
N-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide has a molecular weight of 307.44 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide is sourced from PubChem (CID 100841944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).