N-(1-hydroxypropan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide

C22H21N3O4 — CID 42651933

IUPACN-(1-hydroxypropan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCC(CO)NC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O
InChIInChI=1S/C22H21N3O4/c1-13(12-26)24-20(27)14-6-7-17-18(10-14)22(29)25(21(17)28)9-8-15-11-23-19-5-3-2-4-16(15)19/h2-7,10-11,13,23,26H,8-9,12H2,1H3,(H,24,27)
InChIKeySYXJPLFLKOTUMJ-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.12
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide

N-(1-hydroxypropan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 42651933) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID42651933
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-(1-hydroxypropan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCC(CO)NC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O
InChIInChI=1S/C22H21N3O4/c1-13(12-26)24-20(27)14-6-7-17-18(10-14)22(29)25(21(17)28)9-8-15-11-23-19-5-3-2-4-16(15)19/h2-7,10-11,13,23,26H,8-9,12H2,1H3,(H,24,27)
InChIKeySYXJPLFLKOTUMJ-UHFFFAOYSA-N
XLogP2.12
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 42653008
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 51973033
2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 906603
2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 29128923
2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione
CID 1204633
2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide
CID 51157933
2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906585
(4Z)-4-(dimethylaminomethylidene)-2-[2-(1H-indol-3-yl)ethyl]isoquinoline-1,3-dione
CID 6512110
1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108873798
2-[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 16752637
N-[(2R)-butan-2-yl]-3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 97489172
N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide
CID 32795936

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide (CID 42651933) is N-(1-hydroxypropan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide is CC(CO)NC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is SYXJPLFLKOTUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-13(12-26)24-20(27)14-6-7-17-18(10-14)22(29)25(21(17)28)9-8-15-11-23-19-5-3-2-4-16(15)19/h2-7,10-11,13,23,26H,8-9,12H2,1H3,(H,24,27).
What are the key properties of N-(1-hydroxypropan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
N-(1-hydroxypropan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 42651933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).