8-(3,4-dihydro-2H-chromen-4-ylamino)-1,3-diazaspiro[4.5]decane-2,4-dione

C17H21N3O3 — CID 126802857

IUPAC8-(3,4-dihydro-2H-chromen-4-ylamino)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCC(NC3CCOc4ccccc43)CC2)N1
InChIInChI=1S/C17H21N3O3/c21-15-17(20-16(22)19-15)8-5-11(6-9-17)18-13-7-10-23-14-4-2-1-3-12(13)14/h1-4,11,13,18H,5-10H2,(H2,19,20,21,22)
InChIKeyUAGAQBATOHBYQS-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.62
Rot. Bonds2

About 8-(3,4-dihydro-2H-chromen-4-ylamino)-1,3-diazaspiro[4.5]decane-2,4-dione

8-(3,4-dihydro-2H-chromen-4-ylamino)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 126802857) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 8-(3,4-dihydro-2H-chromen-4-ylamino)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(3,4-dihydro-2H-chromen-4-ylamino)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID126802857
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name8-(3,4-dihydro-2H-chromen-4-ylamino)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCC(NC3CCOc4ccccc43)CC2)N1
InChIInChI=1S/C17H21N3O3/c21-15-17(20-16(22)19-15)8-5-11(6-9-17)18-13-7-10-23-14-4-2-1-3-12(13)14/h1-4,11,13,18H,5-10H2,(H2,19,20,21,22)
InChIKeyUAGAQBATOHBYQS-UHFFFAOYSA-N
XLogP1.62
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-(3,4-dihydro-2H-chromen-4-ylamino)-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 43182350
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43723878
N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 65081994
1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
CID 80560661
N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 64752350
N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine
CID 43628795
3-(3,4-dihydro-2H-chromen-4-ylamino)piperidin-2-one
CID 55033102
N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
(1S,5R)-8-benzyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 99777300
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol
CID 104926539

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dihydro-2H-chromen-4-ylamino)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(3,4-dihydro-2H-chromen-4-ylamino)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 126802857) is 8-(3,4-dihydro-2H-chromen-4-ylamino)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(3,4-dihydro-2H-chromen-4-ylamino)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(3,4-dihydro-2H-chromen-4-ylamino)-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCC(NC3CCOc4ccccc43)CC2)N1.
What is the InChIKey of 8-(3,4-dihydro-2H-chromen-4-ylamino)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is UAGAQBATOHBYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-15-17(20-16(22)19-15)8-5-11(6-9-17)18-13-7-10-23-14-4-2-1-3-12(13)14/h1-4,11,13,18H,5-10H2,(H2,19,20,21,22).
What are the key properties of 8-(3,4-dihydro-2H-chromen-4-ylamino)-1,3-diazaspiro[4.5]decane-2,4-dione?
8-(3,4-dihydro-2H-chromen-4-ylamino)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 315.37 g/mol, XLogP of 1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dihydro-2H-chromen-4-ylamino)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 126802857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).