4-[6-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-6-oxohexyl]-5-methylimidazolidin-2-one

C27H40N4O4 — CID 3855246

IUPAC4-[6-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-6-oxohexyl]-5-methylimidazolidin-2-one
SMILESCOc1cccc(CC(=O)N2CCC3(CC2)CCN(C(=O)CCCCCC2NC(=O)NC2C)C3)c1
InChIInChI=1S/C27H40N4O4/c1-20-23(29-26(34)28-20)9-4-3-5-10-24(32)31-16-13-27(19-31)11-14-30(15-12-27)25(33)18-21-7-6-8-22(17-21)35-2/h6-8,17,20,23H,3-5,9-16,18-19H2,1-2H3,(H2,28,29,34)
InChIKeyWADXQBGITHUOSQ-UHFFFAOYSA-N
MW484.64 g/mol
LogP3.10
Rot. Bonds9

About 4-[6-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-6-oxohexyl]-5-methylimidazolidin-2-one

4-[6-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-6-oxohexyl]-5-methylimidazolidin-2-one (PubChem CID 3855246) has the molecular formula C27H40N4O4 and a molecular weight of 484.64 g/mol. Its IUPAC name is 4-[6-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-6-oxohexyl]-5-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-[6-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-6-oxohexyl]-5-methylimidazolidin-2-one
PubChem CID3855246
Molecular FormulaC27H40N4O4
Molecular Weight484.64 g/mol
Exact Mass484.30
IUPAC Name4-[6-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-6-oxohexyl]-5-methylimidazolidin-2-one
SMILESCOc1cccc(CC(=O)N2CCC3(CC2)CCN(C(=O)CCCCCC2NC(=O)NC2C)C3)c1
InChIInChI=1S/C27H40N4O4/c1-20-23(29-26(34)28-20)9-4-3-5-10-24(32)31-16-13-27(19-31)11-14-30(15-12-27)25(33)18-21-7-6-8-22(17-21)35-2/h6-8,17,20,23H,3-5,9-16,18-19H2,1-2H3,(H2,28,29,34)
InChIKeyWADXQBGITHUOSQ-UHFFFAOYSA-N
XLogP3.10
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[6-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-6-oxohexyl]-5-methylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
CID 74224465
1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
CID 3812253
3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
CID 112534338
4-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119306920
1-[4-[2-(3-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797234
(3S)-2-acetyl-8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 96572387
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
2-(3-methoxyphenyl)-1-[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 97483457
8-[2-(3-methoxyphenyl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668843
2-(2-hydroxyethyl)-9-[3-(3-methoxyphenyl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72874006
N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide
CID 77039394
1-[2-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
CID 3312012

Frequently Asked Questions

What is the IUPAC name of 4-[6-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-6-oxohexyl]-5-methylimidazolidin-2-one?
The IUPAC name of 4-[6-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-6-oxohexyl]-5-methylimidazolidin-2-one (CID 3855246) is 4-[6-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-6-oxohexyl]-5-methylimidazolidin-2-one.
What is the SMILES notation for 4-[6-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-6-oxohexyl]-5-methylimidazolidin-2-one?
The canonical SMILES for 4-[6-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-6-oxohexyl]-5-methylimidazolidin-2-one is COc1cccc(CC(=O)N2CCC3(CC2)CCN(C(=O)CCCCCC2NC(=O)NC2C)C3)c1.
What is the InChIKey of 4-[6-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-6-oxohexyl]-5-methylimidazolidin-2-one?
The InChIKey is WADXQBGITHUOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O4/c1-20-23(29-26(34)28-20)9-4-3-5-10-24(32)31-16-13-27(19-31)11-14-30(15-12-27)25(33)18-21-7-6-8-22(17-21)35-2/h6-8,17,20,23H,3-5,9-16,18-19H2,1-2H3,(H2,28,29,34).
What are the key properties of 4-[6-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-6-oxohexyl]-5-methylimidazolidin-2-one?
4-[6-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-6-oxohexyl]-5-methylimidazolidin-2-one has a molecular weight of 484.64 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-6-oxohexyl]-5-methylimidazolidin-2-one is sourced from PubChem (CID 3855246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).