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

C20H26N4O3 — CID 47003741

IUPAC2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O)C(C)C
InChIInChI=1S/C20H26N4O3/c1-12(2)24(13(3)4)18(25)11-23-19(26)17(22-20(23)27)9-14-10-21-16-8-6-5-7-15(14)16/h5-8,10,12-13,17,21H,9,11H2,1-4H3,(H,22,27)
InChIKeyRJEOQJMVDXDWRI-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.28
Rot. Bonds6

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

2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 47003741) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID47003741
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O)C(C)C
InChIInChI=1S/C20H26N4O3/c1-12(2)24(13(3)4)18(25)11-23-19(26)17(22-20(23)27)9-14-10-21-16-8-6-5-7-15(14)16/h5-8,10,12-13,17,21H,9,11H2,1-4H3,(H,22,27)
InChIKeyRJEOQJMVDXDWRI-UHFFFAOYSA-N
XLogP2.28
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-di(butan-2-yl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47009783
N-[(2R)-butan-2-yl]-N-[(2S)-butan-2-yl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51556366
2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 7640114
N-benzyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 2462867
N-benzhydryl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 52506914
N-cyclohexyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 51420730
N-cyclohexyl-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 47003752
N-benzyl-N-(1-cyclopropylethyl)-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 118972908
N-cyclohexyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 51556220
2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 51564726
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 2470027
N-[(5-chlorothiophen-2-yl)methyl]-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 25362719

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide (CID 47003741) is 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O)C(C)C.
What is the InChIKey of 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is RJEOQJMVDXDWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-12(2)24(13(3)4)18(25)11-23-19(26)17(22-20(23)27)9-14-10-21-16-8-6-5-7-15(14)16/h5-8,10,12-13,17,21H,9,11H2,1-4H3,(H,22,27).
What are the key properties of 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 370.45 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 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,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 47003741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).