5-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C20H30N2O2 — CID 70552478

IUPAC5-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1C(=O)COC2(CCN(CCc3ccccc3)CC2)C1C
InChIInChI=1S/C20H30N2O2/c1-16(2)22-17(3)20(24-15-19(22)23)10-13-21(14-11-20)12-9-18-7-5-4-6-8-18/h4-8,16-17H,9-15H2,1-3H3
InChIKeyULJBXXVPKRLWLV-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.72
Rot. Bonds4

About 5-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

5-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70552478) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 5-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name5-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID70552478
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name5-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1C(=O)COC2(CCN(CCc3ccccc3)CC2)C1C
InChIInChI=1S/C20H30N2O2/c1-16(2)22-17(3)20(24-15-19(22)23)10-13-21(14-11-20)12-9-18-7-5-4-6-8-18/h4-8,16-17H,9-15H2,1-3H3
InChIKeyULJBXXVPKRLWLV-UHFFFAOYSA-N
XLogP2.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

9-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-5-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20522089
9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 57186218
1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 26336960
2-methyl-4,9-bis(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562325
2-methyl-1'-[2-(4-nitrophenyl)ethyl]spiro[2,5-dihydro-1,4-benzodioxepine-3,4'-piperidine];oxalic acid
CID 13476081
4-(4-fluorophenyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562454
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
2-acetyl-8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70719914
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
5-[1-(2-phenylethyl)piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one
CID 129073951
N-[[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 165352141
1-(3-methylbutyl)-8-(2-phenylethyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26221742

Frequently Asked Questions

What is the IUPAC name of 5-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 5-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 70552478) is 5-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 5-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 5-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC(C)N1C(=O)COC2(CCN(CCc3ccccc3)CC2)C1C.
What is the InChIKey of 5-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ULJBXXVPKRLWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16(2)22-17(3)20(24-15-19(22)23)10-13-21(14-11-20)12-9-18-7-5-4-6-8-18/h4-8,16-17H,9-15H2,1-3H3.
What are the key properties of 5-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
5-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 330.47 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70552478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).