8-(3,4-dihydro-2H-chromene-3-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C19H23N3O4 — CID 70758808

IUPAC8-(3,4-dihydro-2H-chromene-3-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)NC(=O)C12CCN(C(=O)C1COc3ccccc3C1)CC2
InChIInChI=1S/C19H23N3O4/c1-2-22-18(25)20-17(24)19(22)7-9-21(10-8-19)16(23)14-11-13-5-3-4-6-15(13)26-12-14/h3-6,14H,2,7-12H2,1H3,(H,20,24,25)
InChIKeyOCCLDRJUIKUVQT-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.17
Rot. Bonds2

About 8-(3,4-dihydro-2H-chromene-3-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(3,4-dihydro-2H-chromene-3-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 70758808) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 8-(3,4-dihydro-2H-chromene-3-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(3,4-dihydro-2H-chromene-3-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID70758808
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name8-(3,4-dihydro-2H-chromene-3-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)NC(=O)C12CCN(C(=O)C1COc3ccccc3C1)CC2
InChIInChI=1S/C19H23N3O4/c1-2-22-18(25)20-17(24)19(22)7-9-21(10-8-19)16(23)14-11-13-5-3-4-6-15(13)26-12-14/h3-6,14H,2,7-12H2,1H3,(H,20,24,25)
InChIKeyOCCLDRJUIKUVQT-UHFFFAOYSA-N
XLogP1.17
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-(3,4-dihydro-2H-chromene-3-carbonyl)-1-ethyl-1,3,8-triazaspiro[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

8-(2,3-dihydro-1-benzothiophene-2-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 72883096
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323430
3,4-dihydro-2H-chromen-3-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63589640
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874781
(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 51925423
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 97142075
3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 134022339
3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 22578090
3,4-dihydro-2H-chromen-3-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 22578087
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900916

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dihydro-2H-chromene-3-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(3,4-dihydro-2H-chromene-3-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 70758808) is 8-(3,4-dihydro-2H-chromene-3-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(3,4-dihydro-2H-chromene-3-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(3,4-dihydro-2H-chromene-3-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)NC(=O)C12CCN(C(=O)C1COc3ccccc3C1)CC2.
What is the InChIKey of 8-(3,4-dihydro-2H-chromene-3-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is OCCLDRJUIKUVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-2-22-18(25)20-17(24)19(22)7-9-21(10-8-19)16(23)14-11-13-5-3-4-6-15(13)26-12-14/h3-6,14H,2,7-12H2,1H3,(H,20,24,25).
What are the key properties of 8-(3,4-dihydro-2H-chromene-3-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(3,4-dihydro-2H-chromene-3-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 357.41 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dihydro-2H-chromene-3-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 70758808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).