2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone

C18H33NO2 — CID 124858714

IUPAC2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone
SMILESCC(C)[C@@H]1CCCN(C(=O)CO[C@@H]2CCCC[C@H]2C)CC1
InChIInChI=1S/C18H33NO2/c1-14(2)16-8-6-11-19(12-10-16)18(20)13-21-17-9-5-4-7-15(17)3/h14-17H,4-13H2,1-3H3/t15-,16-,17-/m1/s1
InChIKeyQNQKLJSOEBOSIJ-BRWVUGGUSA-N
MW295.47 g/mol
LogP3.87
Rot. Bonds4

About 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone

2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone (PubChem CID 124858714) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone
PubChem CID124858714
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone
SMILESCC(C)[C@@H]1CCCN(C(=O)CO[C@@H]2CCCC[C@H]2C)CC1
InChIInChI=1S/C18H33NO2/c1-14(2)16-8-6-11-19(12-10-16)18(20)13-21-17-9-5-4-7-15(17)3/h14-17H,4-13H2,1-3H3/t15-,16-,17-/m1/s1
InChIKeyQNQKLJSOEBOSIJ-BRWVUGGUSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone with MolForge

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Related Compounds

2-[(1S,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone
CID 124858715
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone
CID 124691199
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone
CID 111560893
(3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid
CID 99639050
1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide
CID 63575068
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylcyclohexyl)oxyethanone
CID 120816436
(2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid
CID 119372189
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
1-(2-methylcyclohexyl)oxybutan-2-one
CID 62040617
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
1-[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]-4-phenylpiperidine-4-carboxylic acid
CID 124693096
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone?
The IUPAC name of 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone (CID 124858714) is 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone.
What is the SMILES notation for 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone?
The canonical SMILES for 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone is CC(C)[C@@H]1CCCN(C(=O)CO[C@@H]2CCCC[C@H]2C)CC1.
What is the InChIKey of 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone?
The InChIKey is QNQKLJSOEBOSIJ-BRWVUGGUSA-N. The full InChI is InChI=1S/C18H33NO2/c1-14(2)16-8-6-11-19(12-10-16)18(20)13-21-17-9-5-4-7-15(17)3/h14-17H,4-13H2,1-3H3/t15-,16-,17-/m1/s1.
What are the key properties of 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone?
2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone has a molecular weight of 295.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone is sourced from PubChem (CID 124858714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).