N-[(E)-1-(2,5-dioxopyrrolidin-1-yl)propan-2-ylideneamino]-2-(1H-indol-3-yl)acetamide

C17H18N4O3 — CID 6075673

IUPACN-[(E)-1-(2,5-dioxopyrrolidin-1-yl)propan-2-ylideneamino]-2-(1H-indol-3-yl)acetamide
SMILESC/C(CN1C(=O)CCC1=O)=N\NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H18N4O3/c1-11(10-21-16(23)6-7-17(21)24)19-20-15(22)8-12-9-18-14-5-3-2-4-13(12)14/h2-5,9,18H,6-8,10H2,1H3,(H,20,22)/b19-11+
InChIKeyGWWFPFHHQSJGME-YBFXNURJSA-N
MW326.36 g/mol
LogP1.35
Rot. Bonds5

About N-[(E)-1-(2,5-dioxopyrrolidin-1-yl)propan-2-ylideneamino]-2-(1H-indol-3-yl)acetamide

N-[(E)-1-(2,5-dioxopyrrolidin-1-yl)propan-2-ylideneamino]-2-(1H-indol-3-yl)acetamide (PubChem CID 6075673) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[(E)-1-(2,5-dioxopyrrolidin-1-yl)propan-2-ylideneamino]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(2,5-dioxopyrrolidin-1-yl)propan-2-ylideneamino]-2-(1H-indol-3-yl)acetamide
PubChem CID6075673
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[(E)-1-(2,5-dioxopyrrolidin-1-yl)propan-2-ylideneamino]-2-(1H-indol-3-yl)acetamide
SMILESC/C(CN1C(=O)CCC1=O)=N\NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H18N4O3/c1-11(10-21-16(23)6-7-17(21)24)19-20-15(22)8-12-9-18-14-5-3-2-4-13(12)14/h2-5,9,18H,6-8,10H2,1H3,(H,20,22)/b19-11+
InChIKeyGWWFPFHHQSJGME-YBFXNURJSA-N
XLogP1.35
TPSA94.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[(E)-1-(2,5-dioxopyrrolidin-1-yl)propan-2-ylideneamino]-2-(1H-indol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(1H-indol-3-yl)acetamide
CID 139074548
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
2-(1H-indol-3-yl)-N-(3-methoxycyclobutyl)acetamide
CID 104578428
2-(1H-indol-3-yl)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110743638
2-(1H-indol-3-ylmethylamino)-N-methylacetamide
CID 60664269
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111499832
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide
CID 114389821
2-(1H-indol-3-yl)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide
CID 31860262
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 136627449
3-hydroxyimino-4-(1H-indol-3-yl)butan-2-one
CID 130005249

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,5-dioxopyrrolidin-1-yl)propan-2-ylideneamino]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[(E)-1-(2,5-dioxopyrrolidin-1-yl)propan-2-ylideneamino]-2-(1H-indol-3-yl)acetamide (CID 6075673) is N-[(E)-1-(2,5-dioxopyrrolidin-1-yl)propan-2-ylideneamino]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(E)-1-(2,5-dioxopyrrolidin-1-yl)propan-2-ylideneamino]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(E)-1-(2,5-dioxopyrrolidin-1-yl)propan-2-ylideneamino]-2-(1H-indol-3-yl)acetamide is C/C(CN1C(=O)CCC1=O)=N\NC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-1-(2,5-dioxopyrrolidin-1-yl)propan-2-ylideneamino]-2-(1H-indol-3-yl)acetamide?
The InChIKey is GWWFPFHHQSJGME-YBFXNURJSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11(10-21-16(23)6-7-17(21)24)19-20-15(22)8-12-9-18-14-5-3-2-4-13(12)14/h2-5,9,18H,6-8,10H2,1H3,(H,20,22)/b19-11+.
What are the key properties of N-[(E)-1-(2,5-dioxopyrrolidin-1-yl)propan-2-ylideneamino]-2-(1H-indol-3-yl)acetamide?
N-[(E)-1-(2,5-dioxopyrrolidin-1-yl)propan-2-ylideneamino]-2-(1H-indol-3-yl)acetamide has a molecular weight of 326.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,5-dioxopyrrolidin-1-yl)propan-2-ylideneamino]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 6075673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).