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

C21H22N2O3 — CID 90586073

IUPACN-(3,4-dimethylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
SMILESCc1ccc(NC(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)cc1C
InChIInChI=1S/C21H22N2O3/c1-14-7-8-16(11-15(14)2)22-20(25)23-10-9-21(13-23)12-18(24)17-5-3-4-6-19(17)26-21/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyKTZRQFGKZDCYRI-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.95
Rot. Bonds1

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

N-(3,4-dimethylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide (PubChem CID 90586073) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
PubChem CID90586073
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(3,4-dimethylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
SMILESCc1ccc(NC(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)cc1C
InChIInChI=1S/C21H22N2O3/c1-14-7-8-16(11-15(14)2)22-20(25)23-10-9-21(13-23)12-18(24)17-5-3-4-6-19(17)26-21/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyKTZRQFGKZDCYRI-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586070
1'-[3-(3,4-dimethylphenyl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586185
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
2,5-dimethyl-N-[1-oxo-1-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propan-2-yl]benzenesulfonamide
CID 90586119
1'-(3-methylbutanoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585824
N-[(3R,4R)-4-methoxyoxolan-3-yl]-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 164635737
6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 100760356
1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585858
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
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

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide (CID 90586073) is N-(3,4-dimethylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide is Cc1ccc(NC(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is KTZRQFGKZDCYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-7-8-16(11-15(14)2)22-20(25)23-10-9-21(13-23)12-18(24)17-5-3-4-6-19(17)26-21/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-(3,4-dimethylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide?
N-(3,4-dimethylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 90586073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).