2,3-dimethyl-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one

C22H32N2O3 — CID 166107543

IUPAC2,3-dimethyl-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one
SMILESCC1CC2(COCC(=O)N2)C(COC2CCC(c3ccccc3)CC2)N1C
InChIInChI=1S/C22H32N2O3/c1-16-12-22(15-26-14-21(25)23-22)20(24(16)2)13-27-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-7,16,18-20H,8-15H2,1-2H3,(H,23,25)
InChIKeyVTFZDMALADYMOE-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.71
Rot. Bonds4

About 2,3-dimethyl-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one

2,3-dimethyl-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 166107543) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name2,3-dimethyl-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one
PubChem CID166107543
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name2,3-dimethyl-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one
SMILESCC1CC2(COCC(=O)N2)C(COC2CCC(c3ccccc3)CC2)N1C
InChIInChI=1S/C22H32N2O3/c1-16-12-22(15-26-14-21(25)23-22)20(24(16)2)13-27-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-7,16,18-20H,8-15H2,1-2H3,(H,23,25)
InChIKeyVTFZDMALADYMOE-UHFFFAOYSA-N
XLogP2.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of 2,3-dimethyl-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one (CID 166107543) is 2,3-dimethyl-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for 2,3-dimethyl-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for 2,3-dimethyl-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one is CC1CC2(COCC(=O)N2)C(COC2CCC(c3ccccc3)CC2)N1C.
What is the InChIKey of 2,3-dimethyl-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is VTFZDMALADYMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-16-12-22(15-26-14-21(25)23-22)20(24(16)2)13-27-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-7,16,18-20H,8-15H2,1-2H3,(H,23,25).
What are the key properties of 2,3-dimethyl-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one?
2,3-dimethyl-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 372.51 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 166107543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).