N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide

C18H19N3O3 — CID 98471543

IUPACN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C1C[C@H](N(C(=O)CCc2c[nH]c3ccccc23)C2CC2)C(=O)N1
InChIInChI=1S/C18H19N3O3/c22-16-9-15(18(24)20-16)21(12-6-7-12)17(23)8-5-11-10-19-14-4-2-1-3-13(11)14/h1-4,10,12,15,19H,5-9H2,(H,20,22,24)/t15-/m0/s1
InChIKeyQLYSOBVMPIVBQV-HNNXBMFYSA-N
MW325.37 g/mol
LogP1.51
Rot. Bonds5

About N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide

N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 98471543) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID98471543
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C1C[C@H](N(C(=O)CCc2c[nH]c3ccccc23)C2CC2)C(=O)N1
InChIInChI=1S/C18H19N3O3/c22-16-9-15(18(24)20-16)21(12-6-7-12)17(23)8-5-11-10-19-14-4-2-1-3-13(11)14/h1-4,10,12,15,19H,5-9H2,(H,20,22,24)/t15-/m0/s1
InChIKeyQLYSOBVMPIVBQV-HNNXBMFYSA-N
XLogP1.51
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.51
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-cyclopropyl-N-(1-ethylpiperidin-4-yl)-3-(1H-indol-3-yl)propanamide
CID 51093208
N-cyclopropyl-3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 26378402
N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962
N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 123961243
3-(1H-indol-3-yl)propanoyloxidanium
CID 142492757
N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 60652678
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)propanamide
CID 79380294
3-(1H-indol-3-yl)-N-methyl-N-(4-methylpentan-2-yl)propanamide
CID 42951930
N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide
CID 124618481
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
1-(1H-indol-3-yl)hexan-3-one
CID 166814803
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide (CID 98471543) is N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide is O=C1C[C@H](N(C(=O)CCc2c[nH]c3ccccc23)C2CC2)C(=O)N1.
What is the InChIKey of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is QLYSOBVMPIVBQV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-16-9-15(18(24)20-16)21(12-6-7-12)17(23)8-5-11-10-19-14-4-2-1-3-13(11)14/h1-4,10,12,15,19H,5-9H2,(H,20,22,24)/t15-/m0/s1.
What are the key properties of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide?
N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 325.37 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 98471543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).