N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide

C20H20N2O3 — CID 90586070

IUPACN-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
SMILESCc1cccc(NC(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)c1
InChIInChI=1S/C20H20N2O3/c1-14-5-4-6-15(11-14)21-19(24)22-10-9-20(13-22)12-17(23)16-7-2-3-8-18(16)25-20/h2-8,11H,9-10,12-13H2,1H3,(H,21,24)
InChIKeyOOQAUERRUZVBFY-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.64
Rot. Bonds1

About N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide

N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide (PubChem CID 90586070) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
PubChem CID90586070
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
SMILESCc1cccc(NC(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)c1
InChIInChI=1S/C20H20N2O3/c1-14-5-4-6-15(11-14)21-19(24)22-10-9-20(13-22)12-17(23)16-7-2-3-8-18(16)25-20/h2-8,11H,9-10,12-13H2,1H3,(H,21,24)
InChIKeyOOQAUERRUZVBFY-UHFFFAOYSA-N
XLogP3.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586073
N-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586080
N-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586068
6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 100760356
3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 103727847
1'-(3-methylbutanoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585824
5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 108782711
(5R)-3-methyl-N-[3-(2-methylphenyl)phenyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
CID 125156795
N-[(3R,4R)-4-methoxyoxolan-3-yl]-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 164635737
2,5-dimethyl-N-[1-oxo-1-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propan-2-yl]benzenesulfonamide
CID 90586119
4-[2-(dimethylamino)-2-oxoethyl]-N-(3-methylphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 131656956
1'-[3-(3,4-dimethylphenyl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586185

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide (CID 90586070) is N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide is Cc1cccc(NC(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is OOQAUERRUZVBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14-5-4-6-15(11-14)21-19(24)22-10-9-20(13-22)12-17(23)16-7-2-3-8-18(16)25-20/h2-8,11H,9-10,12-13H2,1H3,(H,21,24).
What are the key properties of N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide?
N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 90586070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).