2-(4-hydroxycyclohexyl)-9-(4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one

C23H32N2O3 — CID 72921698

IUPAC2-(4-hydroxycyclohexyl)-9-(4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccc(C(=O)N2CCC3(CCC(=O)N(C4CCC(O)CC4)C3)CC2)cc1
InChIInChI=1S/C23H32N2O3/c1-17-2-4-18(5-3-17)22(28)24-14-12-23(13-15-24)11-10-21(27)25(16-23)19-6-8-20(26)9-7-19/h2-5,19-20,26H,6-16H2,1H3
InChIKeyYPMYNGUZFRXXRK-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.14
Rot. Bonds2

About 2-(4-hydroxycyclohexyl)-9-(4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(4-hydroxycyclohexyl)-9-(4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72921698) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-9-(4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-9-(4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72921698
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name2-(4-hydroxycyclohexyl)-9-(4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccc(C(=O)N2CCC3(CCC(=O)N(C4CCC(O)CC4)C3)CC2)cc1
InChIInChI=1S/C23H32N2O3/c1-17-2-4-18(5-3-17)22(28)24-14-12-23(13-15-24)11-10-21(27)25(16-23)19-6-8-20(26)9-7-19/h2-5,19-20,26H,6-16H2,1H3
InChIKeyYPMYNGUZFRXXRK-UHFFFAOYSA-N
XLogP3.14
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)-9-(4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(4-hydroxycyclohexyl)-9-(4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72921698) is 2-(4-hydroxycyclohexyl)-9-(4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-9-(4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-9-(4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1ccc(C(=O)N2CCC3(CCC(=O)N(C4CCC(O)CC4)C3)CC2)cc1.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-9-(4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is YPMYNGUZFRXXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-17-2-4-18(5-3-17)22(28)24-14-12-23(13-15-24)11-10-21(27)25(16-23)19-6-8-20(26)9-7-19/h2-5,19-20,26H,6-16H2,1H3.
What are the key properties of 2-(4-hydroxycyclohexyl)-9-(4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(4-hydroxycyclohexyl)-9-(4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 384.52 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-9-(4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72921698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).