3-methyl-9-[2-(4-propan-2-ylphenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C19H26N2O3 — CID 56902621

IUPAC3-methyl-9-[2-(4-propan-2-ylphenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCC(C)c1ccc(CC(=O)N2CCCC3(CN(C)C(=O)O3)C2)cc1
InChIInChI=1S/C19H26N2O3/c1-14(2)16-7-5-15(6-8-16)11-17(22)21-10-4-9-19(13-21)12-20(3)18(23)24-19/h5-8,14H,4,9-13H2,1-3H3
InChIKeySKDUGEGTSLKYLT-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.80
Rot. Bonds3

About 3-methyl-9-[2-(4-propan-2-ylphenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

3-methyl-9-[2-(4-propan-2-ylphenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56902621) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-methyl-9-[2-(4-propan-2-ylphenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-9-[2-(4-propan-2-ylphenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56902621
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name3-methyl-9-[2-(4-propan-2-ylphenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCC(C)c1ccc(CC(=O)N2CCCC3(CN(C)C(=O)O3)C2)cc1
InChIInChI=1S/C19H26N2O3/c1-14(2)16-7-5-15(6-8-16)11-17(22)21-10-4-9-19(13-21)12-20(3)18(23)24-19/h5-8,14H,4,9-13H2,1-3H3
InChIKeySKDUGEGTSLKYLT-UHFFFAOYSA-N
XLogP2.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-[2-(4-propan-2-ylphenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-9-[2-(4-propan-2-ylphenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56902621) is 3-methyl-9-[2-(4-propan-2-ylphenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-9-[2-(4-propan-2-ylphenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-9-[2-(4-propan-2-ylphenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CC(C)c1ccc(CC(=O)N2CCCC3(CN(C)C(=O)O3)C2)cc1.
What is the InChIKey of 3-methyl-9-[2-(4-propan-2-ylphenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is SKDUGEGTSLKYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14(2)16-7-5-15(6-8-16)11-17(22)21-10-4-9-19(13-21)12-20(3)18(23)24-19/h5-8,14H,4,9-13H2,1-3H3.
What are the key properties of 3-methyl-9-[2-(4-propan-2-ylphenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
3-methyl-9-[2-(4-propan-2-ylphenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 330.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-[2-(4-propan-2-ylphenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56902621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).