7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one

C21H30N2O3 — CID 166107536

IUPAC7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one
SMILESO=C1COCC2(CCCNC2COC2CCC(c3ccccc3)CC2)N1
InChIInChI=1S/C21H30N2O3/c24-20-14-25-15-21(23-20)11-4-12-22-19(21)13-26-18-9-7-17(8-10-18)16-5-2-1-3-6-16/h1-3,5-6,17-19,22H,4,7-15H2,(H,23,24)
InChIKeyKTXKZMVMHZTZEX-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.37
Rot. Bonds4

About 7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one

7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 166107536) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID166107536
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one
SMILESO=C1COCC2(CCCNC2COC2CCC(c3ccccc3)CC2)N1
InChIInChI=1S/C21H30N2O3/c24-20-14-25-15-21(23-20)11-4-12-22-19(21)13-26-18-9-7-17(8-10-18)16-5-2-1-3-6-16/h1-3,5-6,17-19,22H,4,7-15H2,(H,23,24)
InChIKeyKTXKZMVMHZTZEX-UHFFFAOYSA-N
XLogP2.37
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one (CID 166107536) is 7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one is O=C1COCC2(CCCNC2COC2CCC(c3ccccc3)CC2)N1.
What is the InChIKey of 7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is KTXKZMVMHZTZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c24-20-14-25-15-21(23-20)11-4-12-22-19(21)13-26-18-9-7-17(8-10-18)16-5-2-1-3-6-16/h1-3,5-6,17-19,22H,4,7-15H2,(H,23,24).
What are the key properties of 7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one?
7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 358.48 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 166107536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).