N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide

C23H25N3O2 — CID 56875537

IUPACN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide
SMILESCCC(C(=O)NCc1ccc2[nH]c(C)c(C)c2c1)N1Cc2ccccc2C1=O
InChIInChI=1S/C23H25N3O2/c1-4-21(26-13-17-7-5-6-8-18(17)23(26)28)22(27)24-12-16-9-10-20-19(11-16)14(2)15(3)25-20/h5-11,21,25H,4,12-13H2,1-3H3,(H,24,27)
InChIKeyRRXZULVSHFKVGO-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.84
Rot. Bonds5

About N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide (PubChem CID 56875537) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide
PubChem CID56875537
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide
SMILESCCC(C(=O)NCc1ccc2[nH]c(C)c(C)c2c1)N1Cc2ccccc2C1=O
InChIInChI=1S/C23H25N3O2/c1-4-21(26-13-17-7-5-6-8-18(17)23(26)28)22(27)24-12-16-9-10-20-19(11-16)14(2)15(3)25-20/h5-11,21,25H,4,12-13H2,1-3H3,(H,24,27)
InChIKeyRRXZULVSHFKVGO-UHFFFAOYSA-N
XLogP3.84
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide (CID 56875537) is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide.
What is the SMILES notation for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The canonical SMILES for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide is CCC(C(=O)NCc1ccc2[nH]c(C)c(C)c2c1)N1Cc2ccccc2C1=O.
What is the InChIKey of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The InChIKey is RRXZULVSHFKVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-4-21(26-13-17-7-5-6-8-18(17)23(26)28)22(27)24-12-16-9-10-20-19(11-16)14(2)15(3)25-20/h5-11,21,25H,4,12-13H2,1-3H3,(H,24,27).
What are the key properties of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide?
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide has a molecular weight of 375.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide is sourced from PubChem (CID 56875537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).