[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone

C21H32N2O2 — CID 118743269

IUPAC[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone
SMILESCOCC1CC2(CCN(C(=O)c3ccccc3C)CC2)CN1C(C)C
InChIInChI=1S/C21H32N2O2/c1-16(2)23-15-21(13-18(23)14-25-4)9-11-22(12-10-21)20(24)19-8-6-5-7-17(19)3/h5-8,16,18H,9-15H2,1-4H3
InChIKeyNJNPIGJWGPHKOL-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.35
Rot. Bonds4

About [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone

[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone (PubChem CID 118743269) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone
PubChem CID118743269
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone
SMILESCOCC1CC2(CCN(C(=O)c3ccccc3C)CC2)CN1C(C)C
InChIInChI=1S/C21H32N2O2/c1-16(2)23-15-21(13-18(23)14-25-4)9-11-22(12-10-21)20(24)19-8-6-5-7-17(19)3/h5-8,16,18H,9-15H2,1-4H3
InChIKeyNJNPIGJWGPHKOL-UHFFFAOYSA-N
XLogP3.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone?
The IUPAC name of [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone (CID 118743269) is [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone is COCC1CC2(CCN(C(=O)c3ccccc3C)CC2)CN1C(C)C.
What is the InChIKey of [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone?
The InChIKey is NJNPIGJWGPHKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16(2)23-15-21(13-18(23)14-25-4)9-11-22(12-10-21)20(24)19-8-6-5-7-17(19)3/h5-8,16,18H,9-15H2,1-4H3.
What are the key properties of [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone?
[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone has a molecular weight of 344.50 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 118743269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).