8-[3-(3-methoxyphenyl)propanoyl]-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one

C25H30N2O4 — CID 56853173

IUPAC8-[3-(3-methoxyphenyl)propanoyl]-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cccc(CCC(=O)N2CCC3(CCC(=O)N3OCc3ccccc3)CC2)c1
InChIInChI=1S/C25H30N2O4/c1-30-22-9-5-8-20(18-22)10-11-23(28)26-16-14-25(15-17-26)13-12-24(29)27(25)31-19-21-6-3-2-4-7-21/h2-9,18H,10-17,19H2,1H3
InChIKeyGCRABWCXNAIWLT-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.74
Rot. Bonds7

About 8-[3-(3-methoxyphenyl)propanoyl]-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one

8-[3-(3-methoxyphenyl)propanoyl]-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 56853173) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 8-[3-(3-methoxyphenyl)propanoyl]-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[3-(3-methoxyphenyl)propanoyl]-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one
PubChem CID56853173
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name8-[3-(3-methoxyphenyl)propanoyl]-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cccc(CCC(=O)N2CCC3(CCC(=O)N3OCc3ccccc3)CC2)c1
InChIInChI=1S/C25H30N2O4/c1-30-22-9-5-8-20(18-22)10-11-23(28)26-16-14-25(15-17-26)13-12-24(29)27(25)31-19-21-6-3-2-4-7-21/h2-9,18H,10-17,19H2,1H3
InChIKeyGCRABWCXNAIWLT-UHFFFAOYSA-N
XLogP3.74
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethyl)-9-[3-(3-methoxyphenyl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72874006
1-phenylmethoxy-8-[2-(2,4,6-trifluorophenyl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
CID 56852502
1-[3-(3-methoxyphenyl)propanoyl]-4-phenylpiperidine-4-carbonitrile
CID 110711553
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
CID 112534338
1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one
CID 112536109
3-(3-methoxyphenyl)-1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one
CID 110399607
3-(3-methoxyphenyl)-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 110796477
1-[4-[3-(3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796689
1-[3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 167762493
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 79410444
3-(3-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 34318339

Frequently Asked Questions

What is the IUPAC name of 8-[3-(3-methoxyphenyl)propanoyl]-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[3-(3-methoxyphenyl)propanoyl]-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one (CID 56853173) is 8-[3-(3-methoxyphenyl)propanoyl]-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[3-(3-methoxyphenyl)propanoyl]-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[3-(3-methoxyphenyl)propanoyl]-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one is COc1cccc(CCC(=O)N2CCC3(CCC(=O)N3OCc3ccccc3)CC2)c1.
What is the InChIKey of 8-[3-(3-methoxyphenyl)propanoyl]-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is GCRABWCXNAIWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-30-22-9-5-8-20(18-22)10-11-23(28)26-16-14-25(15-17-26)13-12-24(29)27(25)31-19-21-6-3-2-4-7-21/h2-9,18H,10-17,19H2,1H3.
What are the key properties of 8-[3-(3-methoxyphenyl)propanoyl]-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one?
8-[3-(3-methoxyphenyl)propanoyl]-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 422.53 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(3-methoxyphenyl)propanoyl]-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56853173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).