(1R,2S,5R)-5-methyl-2-[2-[(7R)-7-methyl-7-phenyl-1,4-oxazepan-4-yl]propan-2-yl]cyclohexan-1-ol

C22H35NO2 — CID 139192207

IUPAC(1R,2S,5R)-5-methyl-2-[2-[(7R)-7-methyl-7-phenyl-1,4-oxazepan-4-yl]propan-2-yl]cyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)N2CCO[C@@](C)(c3ccccc3)CC2)[C@H](O)C1
InChIInChI=1S/C22H35NO2/c1-17-10-11-19(20(24)16-17)21(2,3)23-13-12-22(4,25-15-14-23)18-8-6-5-7-9-18/h5-9,17,19-20,24H,10-16H2,1-4H3/t17-,19-,20-,22-/m1/s1
InChIKeyPHQFEZJMKGZSCG-JWUVWSEFSA-N
MW345.53 g/mol
LogP4.20
Rot. Bonds3

About (1R,2S,5R)-5-methyl-2-[2-[(7R)-7-methyl-7-phenyl-1,4-oxazepan-4-yl]propan-2-yl]cyclohexan-1-ol

(1R,2S,5R)-5-methyl-2-[2-[(7R)-7-methyl-7-phenyl-1,4-oxazepan-4-yl]propan-2-yl]cyclohexan-1-ol (PubChem CID 139192207) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-[2-[(7R)-7-methyl-7-phenyl-1,4-oxazepan-4-yl]propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-[2-[(7R)-7-methyl-7-phenyl-1,4-oxazepan-4-yl]propan-2-yl]cyclohexan-1-ol
PubChem CID139192207
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC Name(1R,2S,5R)-5-methyl-2-[2-[(7R)-7-methyl-7-phenyl-1,4-oxazepan-4-yl]propan-2-yl]cyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)N2CCO[C@@](C)(c3ccccc3)CC2)[C@H](O)C1
InChIInChI=1S/C22H35NO2/c1-17-10-11-19(20(24)16-17)21(2,3)23-13-12-22(4,25-15-14-23)18-8-6-5-7-9-18/h5-9,17,19-20,24H,10-16H2,1-4H3/t17-,19-,20-,22-/m1/s1
InChIKeyPHQFEZJMKGZSCG-JWUVWSEFSA-N
XLogP4.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2S,5R)-5-methyl-2-[2-[(7R)-7-methyl-7-phenyl-1,4-oxazepan-4-yl]propan-2-yl]cyclohexan-1-ol with MolForge

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Related Compounds

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(1R,2S,5R)-2-[2-[(2S,6S)-7,7-dimethyl-2-phenyl-6-phenylselanyl-1,4-oxazepan-4-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 11991925
(1R,2S,5R)-2-[2-[(6S,7R)-2,2-dimethyl-7-phenyl-6-phenylselanyl-1,4-oxazepan-4-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 139192203
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CID 80222586
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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-2-[2-[(7R)-7-methyl-7-phenyl-1,4-oxazepan-4-yl]propan-2-yl]cyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-5-methyl-2-[2-[(7R)-7-methyl-7-phenyl-1,4-oxazepan-4-yl]propan-2-yl]cyclohexan-1-ol (CID 139192207) is (1R,2S,5R)-5-methyl-2-[2-[(7R)-7-methyl-7-phenyl-1,4-oxazepan-4-yl]propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-[2-[(7R)-7-methyl-7-phenyl-1,4-oxazepan-4-yl]propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-[2-[(7R)-7-methyl-7-phenyl-1,4-oxazepan-4-yl]propan-2-yl]cyclohexan-1-ol is C[C@@H]1CC[C@@H](C(C)(C)N2CCO[C@@](C)(c3ccccc3)CC2)[C@H](O)C1.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-[2-[(7R)-7-methyl-7-phenyl-1,4-oxazepan-4-yl]propan-2-yl]cyclohexan-1-ol?
The InChIKey is PHQFEZJMKGZSCG-JWUVWSEFSA-N. The full InChI is InChI=1S/C22H35NO2/c1-17-10-11-19(20(24)16-17)21(2,3)23-13-12-22(4,25-15-14-23)18-8-6-5-7-9-18/h5-9,17,19-20,24H,10-16H2,1-4H3/t17-,19-,20-,22-/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-[2-[(7R)-7-methyl-7-phenyl-1,4-oxazepan-4-yl]propan-2-yl]cyclohexan-1-ol?
(1R,2S,5R)-5-methyl-2-[2-[(7R)-7-methyl-7-phenyl-1,4-oxazepan-4-yl]propan-2-yl]cyclohexan-1-ol has a molecular weight of 345.53 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-5-methyl-2-[2-[(7R)-7-methyl-7-phenyl-1,4-oxazepan-4-yl]propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 139192207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).