2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide

C23H24N4O3 — CID 7640114

IUPAC2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1
InChIInChI=1S/C23H24N4O3/c1-15(2)27(17-8-4-3-5-9-17)21(28)14-26-22(29)20(25-23(26)30)12-16-13-24-19-11-7-6-10-18(16)19/h3-11,13,15,20,24H,12,14H2,1-2H3,(H,25,30)/t20-/m0/s1
InChIKeyGTWYFCBQXLMDLW-FQEVSTJZSA-N
MW404.47 g/mol
LogP3.07
Rot. Bonds6

About 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide

2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 7640114) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
PubChem CID7640114
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1
InChIInChI=1S/C23H24N4O3/c1-15(2)27(17-8-4-3-5-9-17)21(28)14-26-22(29)20(25-23(26)30)12-16-13-24-19-11-7-6-10-18(16)19/h3-11,13,15,20,24H,12,14H2,1-2H3,(H,25,30)/t20-/m0/s1
InChIKeyGTWYFCBQXLMDLW-FQEVSTJZSA-N
XLogP3.07
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.07
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

2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 47003741
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
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-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
N-cyclohexyl-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 47003752
N-cyclohexyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 51420730
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 2470027
N-benzhydryl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 97081319
2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 51564726

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide (CID 7640114) is 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1.
What is the InChIKey of 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is GTWYFCBQXLMDLW-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15(2)27(17-8-4-3-5-9-17)21(28)14-26-22(29)20(25-23(26)30)12-16-13-24-19-11-7-6-10-18(16)19/h3-11,13,15,20,24H,12,14H2,1-2H3,(H,25,30)/t20-/m0/s1.
What are the key properties of 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 404.47 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 7640114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).