N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide

C20H27N3O4 — CID 136534380

IUPACN-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
SMILESCOc1ccc(CC(C)(C)NC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1
InChIInChI=1S/C20H27N3O4/c1-19(2,12-13-4-6-15(27-3)7-5-13)22-16(24)14-8-10-20(11-9-14)17(25)21-18(26)23-20/h4-7,14H,8-12H2,1-3H3,(H,22,24)(H2,21,23,25,26)
InChIKeyIGHYLOAIGMYYII-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.90
Rot. Bonds5

About N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide

N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 136534380) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
PubChem CID136534380
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
SMILESCOc1ccc(CC(C)(C)NC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1
InChIInChI=1S/C20H27N3O4/c1-19(2,12-13-4-6-15(27-3)7-5-13)22-16(24)14-8-10-20(11-9-14)17(25)21-18(26)23-20/h4-7,14H,8-12H2,1-3H3,(H,22,24)(H2,21,23,25,26)
InChIKeyIGHYLOAIGMYYII-UHFFFAOYSA-N
XLogP1.90
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ditert-butyl 8-(4-methoxyphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-1,3-dicarboxylate;8-(4-methoxyphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 159984219
N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]benzamide
CID 2270387
[1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate
CID 148872501
(8S)-8-[(4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 131931832
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041743
3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 67840542
ditert-butyl 8-(4-ethoxyphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-1,3-dicarboxylate;8-(4-ethoxyphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 161293018
1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270705
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042762
8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 21350625
3-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 131843624
N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide
CID 965816

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide (CID 136534380) is N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide is COc1ccc(CC(C)(C)NC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is IGHYLOAIGMYYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-19(2,12-13-4-6-15(27-3)7-5-13)22-16(24)14-8-10-20(11-9-14)17(25)21-18(26)23-20/h4-7,14H,8-12H2,1-3H3,(H,22,24)(H2,21,23,25,26).
What are the key properties of N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 136534380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).