3-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one

C20H30N2O2 — CID 97449603

IUPAC3-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one
SMILESCOCCC(=O)N1CCC2(CCN(Cc3ccc(C)cc3)CC2)C1
InChIInChI=1S/C20H30N2O2/c1-17-3-5-18(6-4-17)15-21-11-8-20(9-12-21)10-13-22(16-20)19(23)7-14-24-2/h3-6H,7-16H2,1-2H3
InChIKeyDPMRTCNYUCIAQC-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.85
Rot. Bonds5

About 3-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one

3-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one (PubChem CID 97449603) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one
PubChem CID97449603
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one
SMILESCOCCC(=O)N1CCC2(CCN(Cc3ccc(C)cc3)CC2)C1
InChIInChI=1S/C20H30N2O2/c1-17-3-5-18(6-4-17)15-21-11-8-20(9-12-21)10-13-22(16-20)19(23)7-14-24-2/h3-6H,7-16H2,1-2H3
InChIKeyDPMRTCNYUCIAQC-UHFFFAOYSA-N
XLogP2.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one (CID 97449603) is 3-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one is COCCC(=O)N1CCC2(CCN(Cc3ccc(C)cc3)CC2)C1.
What is the InChIKey of 3-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one?
The InChIKey is DPMRTCNYUCIAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-17-3-5-18(6-4-17)15-21-11-8-20(9-12-21)10-13-22(16-20)19(23)7-14-24-2/h3-6H,7-16H2,1-2H3.
What are the key properties of 3-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one?
3-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one has a molecular weight of 330.47 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one is sourced from PubChem (CID 97449603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).