N-[(1R)-3,3-dimethyl-4'-oxospiro[1H-indene-2,1'-cyclohexane]-1-yl]acetamide

C18H23NO2 — CID 41097391

IUPACN-[(1R)-3,3-dimethyl-4'-oxospiro[1H-indene-2,1'-cyclohexane]-1-yl]acetamide
SMILESCC(=O)N[C@H]1c2ccccc2C(C)(C)C12CCC(=O)CC2
InChIInChI=1S/C18H23NO2/c1-12(20)19-16-14-6-4-5-7-15(14)17(2,3)18(16)10-8-13(21)9-11-18/h4-7,16H,8-11H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyCKJWZBKXUUYESW-INIZCTEOSA-N
MW285.39 g/mol
LogP3.28
Rot. Bonds1

About N-[(1R)-3,3-dimethyl-4'-oxospiro[1H-indene-2,1'-cyclohexane]-1-yl]acetamide

N-[(1R)-3,3-dimethyl-4'-oxospiro[1H-indene-2,1'-cyclohexane]-1-yl]acetamide (PubChem CID 41097391) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(1R)-3,3-dimethyl-4'-oxospiro[1H-indene-2,1'-cyclohexane]-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-3,3-dimethyl-4'-oxospiro[1H-indene-2,1'-cyclohexane]-1-yl]acetamide
PubChem CID41097391
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(1R)-3,3-dimethyl-4'-oxospiro[1H-indene-2,1'-cyclohexane]-1-yl]acetamide
SMILESCC(=O)N[C@H]1c2ccccc2C(C)(C)C12CCC(=O)CC2
InChIInChI=1S/C18H23NO2/c1-12(20)19-16-14-6-4-5-7-15(14)17(2,3)18(16)10-8-13(21)9-11-18/h4-7,16H,8-11H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyCKJWZBKXUUYESW-INIZCTEOSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3,3-dimethyl-4'-oxospiro[1H-indene-2,1'-cyclohexane]-1-yl]acetamide?
The IUPAC name of N-[(1R)-3,3-dimethyl-4'-oxospiro[1H-indene-2,1'-cyclohexane]-1-yl]acetamide (CID 41097391) is N-[(1R)-3,3-dimethyl-4'-oxospiro[1H-indene-2,1'-cyclohexane]-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-3,3-dimethyl-4'-oxospiro[1H-indene-2,1'-cyclohexane]-1-yl]acetamide?
The canonical SMILES for N-[(1R)-3,3-dimethyl-4'-oxospiro[1H-indene-2,1'-cyclohexane]-1-yl]acetamide is CC(=O)N[C@H]1c2ccccc2C(C)(C)C12CCC(=O)CC2.
What is the InChIKey of N-[(1R)-3,3-dimethyl-4'-oxospiro[1H-indene-2,1'-cyclohexane]-1-yl]acetamide?
The InChIKey is CKJWZBKXUUYESW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12(20)19-16-14-6-4-5-7-15(14)17(2,3)18(16)10-8-13(21)9-11-18/h4-7,16H,8-11H2,1-3H3,(H,19,20)/t16-/m0/s1.
What are the key properties of N-[(1R)-3,3-dimethyl-4'-oxospiro[1H-indene-2,1'-cyclohexane]-1-yl]acetamide?
N-[(1R)-3,3-dimethyl-4'-oxospiro[1H-indene-2,1'-cyclohexane]-1-yl]acetamide has a molecular weight of 285.39 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3,3-dimethyl-4'-oxospiro[1H-indene-2,1'-cyclohexane]-1-yl]acetamide is sourced from PubChem (CID 41097391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).