2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

C15H16N4O3 — CID 4566027

IUPAC2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C15H16N4O3/c1-16-13(20)8-19-14(21)12(18-15(19)22)6-9-7-17-11-5-3-2-4-10(9)11/h2-5,7,12,17H,6,8H2,1H3,(H,16,20)(H,18,22)
InChIKeyOGGUNJWOCRMUJF-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.38
Rot. Bonds4

About 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (PubChem CID 4566027) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
PubChem CID4566027
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C15H16N4O3/c1-16-13(20)8-19-14(21)12(18-15(19)22)6-9-7-17-11-5-3-2-4-10(9)11/h2-5,7,12,17H,6,8H2,1H3,(H,16,20)(H,18,22)
InChIKeyOGGUNJWOCRMUJF-UHFFFAOYSA-N
XLogP0.38
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bq-123
CID 443289
Apicidin
CID 6918328
Ilomastat
CID 132519
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Anamorelin
CID 9828911
Macimorelin
CID 9804938
Indole-3-acetamide
CID 397
N-Acetyltryptamine
CID 70547
Pf-06840003
CID 23063810
Ala-Trp
CID 85362
N-(20-Amino-4-hydroxy-4,8,12,17-tetraazaeicos-1-yl)-1H-indole-3-acetamide
CID 131007
(3s,6s,9s,12r)-6-[(1-Methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
CID 467801

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (CID 4566027) is 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is CNC(=O)CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O.
What is the InChIKey of 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The InChIKey is OGGUNJWOCRMUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-16-13(20)8-19-14(21)12(18-15(19)22)6-9-7-17-11-5-3-2-4-10(9)11/h2-5,7,12,17H,6,8H2,1H3,(H,16,20)(H,18,22).
What are the key properties of 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide has a molecular weight of 300.32 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 4566027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).