3-[3-(3-amino-1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]chromen-2-one

C24H24N2O4 — CID 171910561

IUPAC3-[3-(3-amino-1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]chromen-2-one
SMILESNC1COC2(CCN(C(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)CC2)C1
InChIInChI=1S/C24H24N2O4/c25-19-14-24(29-15-19)8-10-26(11-9-24)22(27)18-6-3-5-16(12-18)20-13-17-4-1-2-7-21(17)30-23(20)28/h1-7,12-13,19H,8-11,14-15,25H2
InChIKeyFOVOFTRKFAEEMN-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.18
Rot. Bonds2

About 3-[3-(3-amino-1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]chromen-2-one

3-[3-(3-amino-1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]chromen-2-one (PubChem CID 171910561) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[3-(3-amino-1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]chromen-2-one.

Molecular Properties

Compound Name3-[3-(3-amino-1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]chromen-2-one
PubChem CID171910561
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name3-[3-(3-amino-1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]chromen-2-one
SMILESNC1COC2(CCN(C(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)CC2)C1
InChIInChI=1S/C24H24N2O4/c25-19-14-24(29-15-19)8-10-26(11-9-24)22(27)18-6-3-5-16(12-18)20-13-17-4-1-2-7-21(17)30-23(20)28/h1-7,12-13,19H,8-11,14-15,25H2
InChIKeyFOVOFTRKFAEEMN-UHFFFAOYSA-N
XLogP3.18
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[3-(2-oxochromen-3-yl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 171907092
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acetic acid;3-[3-(3-methylpiperazine-1-carbonyl)phenyl]chromen-2-one
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3-[3-[(3S)-3-ethylmorpholine-4-carbonyl]phenyl]chromen-2-one
CID 171908503
3-[3-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carbonyl]phenyl]chromen-2-one
CID 171906441
3-[3-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbonyl]phenyl]chromen-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-amino-1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]chromen-2-one?
The IUPAC name of 3-[3-(3-amino-1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]chromen-2-one (CID 171910561) is 3-[3-(3-amino-1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]chromen-2-one.
What is the SMILES notation for 3-[3-(3-amino-1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]chromen-2-one?
The canonical SMILES for 3-[3-(3-amino-1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]chromen-2-one is NC1COC2(CCN(C(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)CC2)C1.
What is the InChIKey of 3-[3-(3-amino-1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]chromen-2-one?
The InChIKey is FOVOFTRKFAEEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c25-19-14-24(29-15-19)8-10-26(11-9-24)22(27)18-6-3-5-16(12-18)20-13-17-4-1-2-7-21(17)30-23(20)28/h1-7,12-13,19H,8-11,14-15,25H2.
What are the key properties of 3-[3-(3-amino-1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]chromen-2-one?
3-[3-(3-amino-1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]chromen-2-one has a molecular weight of 404.47 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-amino-1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]chromen-2-one is sourced from PubChem (CID 171910561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).