N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide

C22H23N3O4 — CID 108873784

IUPACN-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCOCCCN1C(=O)c2ccc(NC(=O)N3c4ccccc4CC3C)cc2C1=O
InChIInChI=1S/C22H23N3O4/c1-14-12-15-6-3-4-7-19(15)25(14)22(28)23-16-8-9-17-18(13-16)21(27)24(20(17)26)10-5-11-29-2/h3-4,6-9,13-14H,5,10-12H2,1-2H3,(H,23,28)
InChIKeyYSNDVQLHIRVUGD-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.30
Rot. Bonds5

About N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide

N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 108873784) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID108873784
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCOCCCN1C(=O)c2ccc(NC(=O)N3c4ccccc4CC3C)cc2C1=O
InChIInChI=1S/C22H23N3O4/c1-14-12-15-6-3-4-7-19(15)25(14)22(28)23-16-8-9-17-18(13-16)21(27)24(20(17)26)10-5-11-29-2/h3-4,6-9,13-14H,5,10-12H2,1-2H3,(H,23,28)
InChIKeyYSNDVQLHIRVUGD-UHFFFAOYSA-N
XLogP3.30
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2,3-dihydroindole-1-carboxamide
CID 108872669
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108873569
N-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108889946
2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 17403440
N-(3-hydroxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108895859
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363165
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110866632
2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione
CID 2093701
2-[[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]propanoic acid
CID 108873596
1-(4-aminophenyl)-3-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-1-phenylurea
CID 108873707
2-methyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991651
2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide
CID 108869872

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide (CID 108873784) is N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide is COCCCN1C(=O)c2ccc(NC(=O)N3c4ccccc4CC3C)cc2C1=O.
What is the InChIKey of N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is YSNDVQLHIRVUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14-12-15-6-3-4-7-19(15)25(14)22(28)23-16-8-9-17-18(13-16)21(27)24(20(17)26)10-5-11-29-2/h3-4,6-9,13-14H,5,10-12H2,1-2H3,(H,23,28).
What are the key properties of N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide?
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 108873784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).