N-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide

C21H21N3O5 — CID 53177325

IUPACN-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)Nc3ccc4c(c3)OCO4)C1)C(=O)N2C
InChIInChI=1S/C21H21N3O5/c1-23-16-5-4-14(27-2)10-15(16)21(19(23)25)7-8-24(11-21)20(26)22-13-3-6-17-18(9-13)29-12-28-17/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,22,26)
InChIKeyBCOXOYXINYKRDB-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.58
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide

N-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide (PubChem CID 53177325) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
PubChem CID53177325
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)Nc3ccc4c(c3)OCO4)C1)C(=O)N2C
InChIInChI=1S/C21H21N3O5/c1-23-16-5-4-14(27-2)10-15(16)21(19(23)25)7-8-24(11-21)20(26)22-13-3-6-17-18(9-13)29-12-28-17/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,22,26)
InChIKeyBCOXOYXINYKRDB-UHFFFAOYSA-N
XLogP2.58
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177321
(3S)-N-(1,3-benzodioxol-5-yl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95103877
(3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104291
(3S)-5-methoxy-N-(2-methoxyethyl)-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104286
(3S)-1'-(3,5-dimethoxybenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104144
(3R)-1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104175
5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 53177255
(3R)-1'-(4-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104137
(3S)-5-methoxy-1'-(2-methoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104122
(3S)-5-methoxy-1-methyl-1'-(thiophene-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 95104114
5-methoxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177101
N-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide
CID 95104191

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide (CID 53177325) is N-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide is COc1ccc2c(c1)C1(CCN(C(=O)Nc3ccc4c(c3)OCO4)C1)C(=O)N2C.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is BCOXOYXINYKRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-23-16-5-4-14(27-2)10-15(16)21(19(23)25)7-8-24(11-21)20(26)22-13-3-6-17-18(9-13)29-12-28-17/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,22,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 53177325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).