(6S)-10-[3-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]propyl]-6-methyl-1,4-dioxa-10-azaspiro[4.5]decane-2,3-dione

C24H33NO6 — CID 141165374

IUPAC(6S)-10-[3-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]propyl]-6-methyl-1,4-dioxa-10-azaspiro[4.5]decane-2,3-dione
SMILESC[C@H]1CCCN(CCCOc2ccc(C3CCC(C)(O)CC3)cc2)C12OC(=O)C(=O)O2
InChIInChI=1S/C24H33NO6/c1-17-5-3-14-25(24(17)30-21(26)22(27)31-24)15-4-16-29-20-8-6-18(7-9-20)19-10-12-23(2,28)13-11-19/h6-9,17,19,28H,3-5,10-16H2,1-2H3/t17-,19?,23?/m0/s1
InChIKeyOLWTXFYBAVCWAV-OYMFQORVSA-N
MW431.53 g/mol
LogP3.35
Rot. Bonds6

About (6S)-10-[3-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]propyl]-6-methyl-1,4-dioxa-10-azaspiro[4.5]decane-2,3-dione

(6S)-10-[3-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]propyl]-6-methyl-1,4-dioxa-10-azaspiro[4.5]decane-2,3-dione (PubChem CID 141165374) has the molecular formula C24H33NO6 and a molecular weight of 431.53 g/mol. Its IUPAC name is (6S)-10-[3-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]propyl]-6-methyl-1,4-dioxa-10-azaspiro[4.5]decane-2,3-dione.

Molecular Properties

Compound Name(6S)-10-[3-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]propyl]-6-methyl-1,4-dioxa-10-azaspiro[4.5]decane-2,3-dione
PubChem CID141165374
Molecular FormulaC24H33NO6
Molecular Weight431.53 g/mol
Exact Mass431.23
IUPAC Name(6S)-10-[3-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]propyl]-6-methyl-1,4-dioxa-10-azaspiro[4.5]decane-2,3-dione
SMILESC[C@H]1CCCN(CCCOc2ccc(C3CCC(C)(O)CC3)cc2)C12OC(=O)C(=O)O2
InChIInChI=1S/C24H33NO6/c1-17-5-3-14-25(24(17)30-21(26)22(27)31-24)15-4-16-29-20-8-6-18(7-9-20)19-10-12-23(2,28)13-11-19/h6-9,17,19,28H,3-5,10-16H2,1-2H3/t17-,19?,23?/m0/s1
InChIKeyOLWTXFYBAVCWAV-OYMFQORVSA-N
XLogP3.35
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6S)-10-[3-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]propyl]-6-methyl-1,4-dioxa-10-azaspiro[4.5]decane-2,3-dione?
The IUPAC name of (6S)-10-[3-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]propyl]-6-methyl-1,4-dioxa-10-azaspiro[4.5]decane-2,3-dione (CID 141165374) is (6S)-10-[3-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]propyl]-6-methyl-1,4-dioxa-10-azaspiro[4.5]decane-2,3-dione.
What is the SMILES notation for (6S)-10-[3-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]propyl]-6-methyl-1,4-dioxa-10-azaspiro[4.5]decane-2,3-dione?
The canonical SMILES for (6S)-10-[3-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]propyl]-6-methyl-1,4-dioxa-10-azaspiro[4.5]decane-2,3-dione is C[C@H]1CCCN(CCCOc2ccc(C3CCC(C)(O)CC3)cc2)C12OC(=O)C(=O)O2.
What is the InChIKey of (6S)-10-[3-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]propyl]-6-methyl-1,4-dioxa-10-azaspiro[4.5]decane-2,3-dione?
The InChIKey is OLWTXFYBAVCWAV-OYMFQORVSA-N. The full InChI is InChI=1S/C24H33NO6/c1-17-5-3-14-25(24(17)30-21(26)22(27)31-24)15-4-16-29-20-8-6-18(7-9-20)19-10-12-23(2,28)13-11-19/h6-9,17,19,28H,3-5,10-16H2,1-2H3/t17-,19?,23?/m0/s1.
What are the key properties of (6S)-10-[3-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]propyl]-6-methyl-1,4-dioxa-10-azaspiro[4.5]decane-2,3-dione?
(6S)-10-[3-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]propyl]-6-methyl-1,4-dioxa-10-azaspiro[4.5]decane-2,3-dione has a molecular weight of 431.53 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-10-[3-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]propyl]-6-methyl-1,4-dioxa-10-azaspiro[4.5]decane-2,3-dione is sourced from PubChem (CID 141165374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).