3,4-dimethoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide

C21H22N2O4 — CID 110405595

IUPAC3,4-dimethoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)C2(CCCC2)C(=O)N3)cc1OC
InChIInChI=1S/C21H22N2O4/c1-26-17-8-5-13(11-18(17)27-2)19(24)22-14-6-7-16-15(12-14)21(20(25)23-16)9-3-4-10-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyDIGOGIGLEXIVGO-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.72
Rot. Bonds4

About 3,4-dimethoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide

3,4-dimethoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide (PubChem CID 110405595) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide
PubChem CID110405595
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name3,4-dimethoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)C2(CCCC2)C(=O)N3)cc1OC
InChIInChI=1S/C21H22N2O4/c1-26-17-8-5-13(11-18(17)27-2)19(24)22-14-6-7-16-15(12-14)21(20(25)23-16)9-3-4-10-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyDIGOGIGLEXIVGO-UHFFFAOYSA-N
XLogP3.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide
CID 110405589
3,4-dimethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571300
N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-3-(prop-2-enoylamino)benzamide
CID 166410658
N-[4-[1-(aminomethyl)cyclopentyl]phenyl]-3,4-dimethoxybenzamide
CID 67545488
3-(4-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)propanamide
CID 110405638
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide
CID 3157286
3,4-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 90524781
N-(3,5-difluorophenyl)-3,4-dimethoxybenzamide
CID 7336959
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
(3R)-N-(3,4-dimethoxyphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95103649

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide (CID 110405595) is 3,4-dimethoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide is COc1ccc(C(=O)Nc2ccc3c(c2)C2(CCCC2)C(=O)N3)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide?
The InChIKey is DIGOGIGLEXIVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-26-17-8-5-13(11-18(17)27-2)19(24)22-14-6-7-16-15(12-14)21(20(25)23-16)9-3-4-10-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3,4-dimethoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide?
3,4-dimethoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide has a molecular weight of 366.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide is sourced from PubChem (CID 110405595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).