N-[[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-methylindol-5-yl]methyl]formamide

C21H19N3O3 — CID 12803132

IUPACN-[[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-methylindol-5-yl]methyl]formamide
SMILESCn1cc(CCN2C(=O)c3ccccc3C2=O)c2cc(CNC=O)ccc21
InChIInChI=1S/C21H19N3O3/c1-23-12-15(18-10-14(11-22-13-25)6-7-19(18)23)8-9-24-20(26)16-4-2-3-5-17(16)21(24)27/h2-7,10,12-13H,8-9,11H2,1H3,(H,22,25)
InChIKeyQAXROGZQCMRLFW-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.26
Rot. Bonds6

About N-[[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-methylindol-5-yl]methyl]formamide

N-[[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-methylindol-5-yl]methyl]formamide (PubChem CID 12803132) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-methylindol-5-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-methylindol-5-yl]methyl]formamide
PubChem CID12803132
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-methylindol-5-yl]methyl]formamide
SMILESCn1cc(CCN2C(=O)c3ccccc3C2=O)c2cc(CNC=O)ccc21
InChIInChI=1S/C21H19N3O3/c1-23-12-15(18-10-14(11-22-13-25)6-7-19(18)23)8-9-24-20(26)16-4-2-3-5-17(16)21(24)27/h2-7,10,12-13H,8-9,11H2,1H3,(H,22,25)
InChIKeyQAXROGZQCMRLFW-UHFFFAOYSA-N
XLogP2.26
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylindol-5-yl]methanesulfonamide
CID 70378763
2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione
CID 53328839
tert-butyl 3-acetamido-5-[2-(1,3-dioxoisoindol-2-yl)ethyl]indole-1-carboxylate
CID 167467968
2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide
CID 67930893
N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine
CID 117174929
3-chloro-4-(2,4-dimethylphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione
CID 110584827
3-(4-chlorophenyl)-4-hydroxy-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione
CID 110581819
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
2-[2-(4-aminophenyl)ethyl]isoindole-1,3-dione
CID 10849371
2-[2-(4-sulfanylphenyl)ethyl]isoindole-1,3-dione
CID 53469378
4-(1,3-dioxoisoindol-2-yl)butanal;ethane
CID 145335589
3-chloro-4-(3,4-dimethoxyphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione
CID 110583659

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-methylindol-5-yl]methyl]formamide?
The IUPAC name of N-[[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-methylindol-5-yl]methyl]formamide (CID 12803132) is N-[[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-methylindol-5-yl]methyl]formamide.
What is the SMILES notation for N-[[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-methylindol-5-yl]methyl]formamide?
The canonical SMILES for N-[[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-methylindol-5-yl]methyl]formamide is Cn1cc(CCN2C(=O)c3ccccc3C2=O)c2cc(CNC=O)ccc21.
What is the InChIKey of N-[[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-methylindol-5-yl]methyl]formamide?
The InChIKey is QAXROGZQCMRLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-23-12-15(18-10-14(11-22-13-25)6-7-19(18)23)8-9-24-20(26)16-4-2-3-5-17(16)21(24)27/h2-7,10,12-13H,8-9,11H2,1H3,(H,22,25).
What are the key properties of N-[[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-methylindol-5-yl]methyl]formamide?
N-[[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-methylindol-5-yl]methyl]formamide has a molecular weight of 361.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-methylindol-5-yl]methyl]formamide is sourced from PubChem (CID 12803132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).