8-[2-(3-methoxyphenyl)acetyl]-1-methyl-1,8-diazaspiro[5.5]undecan-2-one

C19H26N2O3 — CID 131662405

IUPAC8-[2-(3-methoxyphenyl)acetyl]-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
SMILESCOc1cccc(CC(=O)N2CCCC3(CCCC(=O)N3C)C2)c1
InChIInChI=1S/C19H26N2O3/c1-20-17(22)8-4-9-19(20)10-5-11-21(14-19)18(23)13-15-6-3-7-16(12-15)24-2/h3,6-7,12H,4-5,8-11,13-14H2,1-2H3
InChIKeyCTMUVSYPPFTLEE-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.24
Rot. Bonds3

About 8-[2-(3-methoxyphenyl)acetyl]-1-methyl-1,8-diazaspiro[5.5]undecan-2-one

8-[2-(3-methoxyphenyl)acetyl]-1-methyl-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 131662405) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 8-[2-(3-methoxyphenyl)acetyl]-1-methyl-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name8-[2-(3-methoxyphenyl)acetyl]-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID131662405
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name8-[2-(3-methoxyphenyl)acetyl]-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
SMILESCOc1cccc(CC(=O)N2CCCC3(CCCC(=O)N3C)C2)c1
InChIInChI=1S/C19H26N2O3/c1-20-17(22)8-4-9-19(20)10-5-11-21(14-19)18(23)13-15-6-3-7-16(12-15)24-2/h3,6-7,12H,4-5,8-11,13-14H2,1-2H3
InChIKeyCTMUVSYPPFTLEE-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxyphenyl)acetyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162627422
(5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115699
(6R)-8-[2-(4-methoxyphenyl)acetyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97398658
1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 119306909
1-[4-[2-(3-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797234
1-[2-(4-methoxyphenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117073
(3R)-1-[2-(4-methoxyphenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087420
2-(3-methoxyphenyl)-1-[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 97483457
2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone
CID 56822423
1-[(3aS,8aS)-1-methyl-3a-(pyrrolidine-1-carbonyl)-3,4,5,7,8,8a-hexahydro-2H-pyrrolo[2,3-d]azepin-6-yl]-2-(3-methoxyphenyl)ethanone
CID 124820749
(6R)-8-(3-methoxybenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97495563
1-[(4aR,8aS)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-2-(3-methoxyphenyl)ethanone
CID 97363079

Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-methoxyphenyl)acetyl]-1-methyl-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 8-[2-(3-methoxyphenyl)acetyl]-1-methyl-1,8-diazaspiro[5.5]undecan-2-one (CID 131662405) is 8-[2-(3-methoxyphenyl)acetyl]-1-methyl-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 8-[2-(3-methoxyphenyl)acetyl]-1-methyl-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 8-[2-(3-methoxyphenyl)acetyl]-1-methyl-1,8-diazaspiro[5.5]undecan-2-one is COc1cccc(CC(=O)N2CCCC3(CCCC(=O)N3C)C2)c1.
What is the InChIKey of 8-[2-(3-methoxyphenyl)acetyl]-1-methyl-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is CTMUVSYPPFTLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-20-17(22)8-4-9-19(20)10-5-11-21(14-19)18(23)13-15-6-3-7-16(12-15)24-2/h3,6-7,12H,4-5,8-11,13-14H2,1-2H3.
What are the key properties of 8-[2-(3-methoxyphenyl)acetyl]-1-methyl-1,8-diazaspiro[5.5]undecan-2-one?
8-[2-(3-methoxyphenyl)acetyl]-1-methyl-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 330.43 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-methoxyphenyl)acetyl]-1-methyl-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 131662405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).