(2R)-6-(4-oxochromene-2-carbonyl)-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide

C24H22N2O4 — CID 26279470

IUPAC(2R)-6-(4-oxochromene-2-carbonyl)-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CC12CCN(C(=O)c1cc(=O)c3ccccc3o1)CC2
InChIInChI=1S/C24H22N2O4/c27-19-14-21(30-20-9-5-4-8-17(19)20)23(29)26-12-10-24(11-13-26)15-18(24)22(28)25-16-6-2-1-3-7-16/h1-9,14,18H,10-13,15H2,(H,25,28)/t18-/m0/s1
InChIKeyQRDIQLYNMPOJHY-SFHVURJKSA-N
MW402.45 g/mol
LogP3.67
Rot. Bonds3

About (2R)-6-(4-oxochromene-2-carbonyl)-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide

(2R)-6-(4-oxochromene-2-carbonyl)-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 26279470) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is (2R)-6-(4-oxochromene-2-carbonyl)-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-(4-oxochromene-2-carbonyl)-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID26279470
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name(2R)-6-(4-oxochromene-2-carbonyl)-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CC12CCN(C(=O)c1cc(=O)c3ccccc3o1)CC2
InChIInChI=1S/C24H22N2O4/c27-19-14-21(30-20-9-5-4-8-17(19)20)23(29)26-12-10-24(11-13-26)15-18(24)22(28)25-16-6-2-1-3-7-16/h1-9,14,18H,10-13,15H2,(H,25,28)/t18-/m0/s1
InChIKeyQRDIQLYNMPOJHY-SFHVURJKSA-N
XLogP3.67
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
2-(thiomorpholine-4-carbonyl)chromen-4-one
CID 22107022
(2R)-6-[(E)-2-methylbut-2-enoyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide
CID 26329891
2-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]chromen-4-one
CID 133131947
N-[3-(furan-2-yl)phenyl]-1-(4-oxochromene-2-carbonyl)piperidine-4-carboxamide
CID 42566489
2-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115969507
methyl (2S)-6-(1-oxoisochromene-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylate
CID 124736988
2-(1,1-dioxo-7-phenyl-1,4-thiazepane-4-carbonyl)chromen-4-one
CID 121191939
6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide
CID 45178295
2-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 56753711
2-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 124949038
2-(3-amino-5-methylpiperidine-1-carbonyl)chromen-4-one
CID 79990732

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(4-oxochromene-2-carbonyl)-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-6-(4-oxochromene-2-carbonyl)-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide (CID 26279470) is (2R)-6-(4-oxochromene-2-carbonyl)-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-6-(4-oxochromene-2-carbonyl)-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-6-(4-oxochromene-2-carbonyl)-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide is O=C(Nc1ccccc1)[C@@H]1CC12CCN(C(=O)c1cc(=O)c3ccccc3o1)CC2.
What is the InChIKey of (2R)-6-(4-oxochromene-2-carbonyl)-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is QRDIQLYNMPOJHY-SFHVURJKSA-N. The full InChI is InChI=1S/C24H22N2O4/c27-19-14-21(30-20-9-5-4-8-17(19)20)23(29)26-12-10-24(11-13-26)15-18(24)22(28)25-16-6-2-1-3-7-16/h1-9,14,18H,10-13,15H2,(H,25,28)/t18-/m0/s1.
What are the key properties of (2R)-6-(4-oxochromene-2-carbonyl)-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-6-(4-oxochromene-2-carbonyl)-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(4-oxochromene-2-carbonyl)-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 26279470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).