(3R,3'S,5'S)-N-(4-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidin-1-ium]-3'-carboxamide

C20H22N3O3+ — CID 7097645

IUPAC(3R,3'S,5'S)-N-(4-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidin-1-ium]-3'-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2C[C@H](C)[NH2+][C@]23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C20H21N3O3/c1-12-11-16(18(24)21-13-7-9-14(26-2)10-8-13)20(23-12)15-5-3-4-6-17(15)22-19(20)25/h3-10,12,16,23H,11H2,1-2H3,(H,21,24)(H,22,25)/p+1/t12-,16+,20-/m0/s1
InChIKeyLULFTNQJQYOCIB-KRYHZZBUSA-O
MW352.41 g/mol
LogP1.45
Rot. Bonds3

About (3R,3'S,5'S)-N-(4-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidin-1-ium]-3'-carboxamide

(3R,3'S,5'S)-N-(4-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidin-1-ium]-3'-carboxamide (PubChem CID 7097645) has the molecular formula C20H22N3O3+ and a molecular weight of 352.41 g/mol. Its IUPAC name is (3R,3'S,5'S)-N-(4-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidin-1-ium]-3'-carboxamide.

Molecular Properties

Compound Name(3R,3'S,5'S)-N-(4-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidin-1-ium]-3'-carboxamide
PubChem CID7097645
Molecular FormulaC20H22N3O3+
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name(3R,3'S,5'S)-N-(4-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidin-1-ium]-3'-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2C[C@H](C)[NH2+][C@]23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C20H21N3O3/c1-12-11-16(18(24)21-13-7-9-14(26-2)10-8-13)20(23-12)15-5-3-4-6-17(15)22-19(20)25/h3-10,12,16,23H,11H2,1-2H3,(H,21,24)(H,22,25)/p+1/t12-,16+,20-/m0/s1
InChIKeyLULFTNQJQYOCIB-KRYHZZBUSA-O
XLogP1.45
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,3'S,5'R)-N-(4-methoxyphenyl)-2-oxo-5'-propan-2-ylspiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 7097418
ethyl 4-[[(3R,3'S,5'S)-5,5'-dimethyl-2-oxospiro[1H-indole-3,2'-pyrrolidin-1-ium]-3'-carbonyl]amino]benzoate
CID 7097616
(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51531802
(3S,3'R,5'R)-5'-[(1R)-1-hydroxyethyl]-N-(4-methoxyphenyl)-5-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 40901875
(3S,3'S,5'R)-5'-[(1R)-1-hydroxyethyl]-N-(4-methoxyphenyl)-5-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 26913438
(3S,3'R,5'R)-5-bromo-N-(4-methoxyphenyl)-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 26885243
5'-bromo-N-(4-methoxyphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
CID 73400372
N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107355881
5'-(2-methylpropyl)-2-oxo-N-phenylspiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 75950163
(2S,3R,8R)-7'-chloro-N-(4-methoxyphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
CID 40920404
(3S)-3-[(1R)-1-hydroxy-2-oxopropyl]-3-(4-methoxyanilino)-1H-indol-2-one
CID 57380045
3-(4-methoxyanilino)-3-(2-methylprop-2-enyl)-1H-indol-2-one
CID 46845599

Frequently Asked Questions

What is the IUPAC name of (3R,3'S,5'S)-N-(4-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidin-1-ium]-3'-carboxamide?
The IUPAC name of (3R,3'S,5'S)-N-(4-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidin-1-ium]-3'-carboxamide (CID 7097645) is (3R,3'S,5'S)-N-(4-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidin-1-ium]-3'-carboxamide.
What is the SMILES notation for (3R,3'S,5'S)-N-(4-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidin-1-ium]-3'-carboxamide?
The canonical SMILES for (3R,3'S,5'S)-N-(4-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidin-1-ium]-3'-carboxamide is COc1ccc(NC(=O)[C@H]2C[C@H](C)[NH2+][C@]23C(=O)Nc2ccccc23)cc1.
What is the InChIKey of (3R,3'S,5'S)-N-(4-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidin-1-ium]-3'-carboxamide?
The InChIKey is LULFTNQJQYOCIB-KRYHZZBUSA-O. The full InChI is InChI=1S/C20H21N3O3/c1-12-11-16(18(24)21-13-7-9-14(26-2)10-8-13)20(23-12)15-5-3-4-6-17(15)22-19(20)25/h3-10,12,16,23H,11H2,1-2H3,(H,21,24)(H,22,25)/p+1/t12-,16+,20-/m0/s1.
What are the key properties of (3R,3'S,5'S)-N-(4-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidin-1-ium]-3'-carboxamide?
(3R,3'S,5'S)-N-(4-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidin-1-ium]-3'-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3'S,5'S)-N-(4-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidin-1-ium]-3'-carboxamide is sourced from PubChem (CID 7097645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).