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

C23H23N3O3 — CID 42653008

IUPACN-butan-2-yl-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCC(C)NC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O
InChIInChI=1S/C23H23N3O3/c1-3-14(2)25-21(27)15-8-9-18-19(12-15)23(29)26(22(18)28)11-10-16-13-24-20-7-5-4-6-17(16)20/h4-9,12-14,24H,3,10-11H2,1-2H3,(H,25,27)
InChIKeyBJVVBIQAQZFOOI-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.53
Rot. Bonds6

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

N-butan-2-yl-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 42653008) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID42653008
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-butan-2-yl-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCC(C)NC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O
InChIInChI=1S/C23H23N3O3/c1-3-14(2)25-21(27)15-8-9-18-19(12-15)23(29)26(22(18)28)11-10-16-13-24-20-7-5-4-6-17(16)20/h4-9,12-14,24H,3,10-11H2,1-2H3,(H,25,27)
InChIKeyBJVVBIQAQZFOOI-UHFFFAOYSA-N
XLogP3.53
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 42651933
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
N-[(2R)-butan-2-yl]-3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 97489172
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
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
2-[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 16752637
(4Z)-4-(dimethylaminomethylidene)-2-[2-(1H-indol-3-yl)ethyl]isoquinoline-1,3-dione
CID 6512110
(2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide
CID 52781483

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-butan-2-yl-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide (CID 42653008) is N-butan-2-yl-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide is CCC(C)NC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O.
What is the InChIKey of N-butan-2-yl-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is BJVVBIQAQZFOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-3-14(2)25-21(27)15-8-9-18-19(12-15)23(29)26(22(18)28)11-10-16-13-24-20-7-5-4-6-17(16)20/h4-9,12-14,24H,3,10-11H2,1-2H3,(H,25,27).
What are the key properties of N-butan-2-yl-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
N-butan-2-yl-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 42653008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).