3-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C23H29N3O3S — CID 17468561

IUPAC3-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccccc1CN(Cc1cccs1)CN1C(=O)NC2(CCC(C)CC2)C1=O
InChIInChI=1S/C23H29N3O3S/c1-17-9-11-23(12-10-17)21(27)26(22(28)24-23)16-25(15-19-7-5-13-30-19)14-18-6-3-4-8-20(18)29-2/h3-8,13,17H,9-12,14-16H2,1-2H3,(H,24,28)
InChIKeyOTHOIJZJTGWNAS-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.22
Rot. Bonds7

About 3-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 17468561) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 3-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID17468561
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name3-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccccc1CN(Cc1cccs1)CN1C(=O)NC2(CCC(C)CC2)C1=O
InChIInChI=1S/C23H29N3O3S/c1-17-9-11-23(12-10-17)21(27)26(22(28)24-23)16-25(15-19-7-5-13-30-19)14-18-6-3-4-8-20(18)29-2/h3-8,13,17H,9-12,14-16H2,1-2H3,(H,24,28)
InChIKeyOTHOIJZJTGWNAS-UHFFFAOYSA-N
XLogP4.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione 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

3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 34185346
8-methyl-3-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 26012278
N-[(2-methoxyphenyl)methyl]-2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 129255543
3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9332388
8-methyl-3-[[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 26024140
N-[(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 41218785
N-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 112796417
3-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 27082474
3-[(2,5-dimethoxyphenyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9401459
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 46650156
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119685030
N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 55383844

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 17468561) is 3-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is COc1ccccc1CN(Cc1cccs1)CN1C(=O)NC2(CCC(C)CC2)C1=O.
What is the InChIKey of 3-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is OTHOIJZJTGWNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-17-9-11-23(12-10-17)21(27)26(22(28)24-23)16-25(15-19-7-5-13-30-19)14-18-6-3-4-8-20(18)29-2/h3-8,13,17H,9-12,14-16H2,1-2H3,(H,24,28).
What are the key properties of 3-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 427.57 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 17468561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).