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

C26H28N4O3 — CID 51556220

IUPACN-cyclohexyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
SMILESO=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1CC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C26H28N4O3/c31-24(30(19-9-3-1-4-10-19)20-11-5-2-6-12-20)17-29-25(32)23(28-26(29)33)15-18-16-27-22-14-8-7-13-21(18)22/h1,3-4,7-10,13-14,16,20,23,27H,2,5-6,11-12,15,17H2,(H,28,33)/t23-/m1/s1
InChIKeyZGKLLSYTHWVXCL-HSZRJFAPSA-N
MW444.54 g/mol
LogP4.00
Rot. Bonds6

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

N-cyclohexyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide (PubChem CID 51556220) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
PubChem CID51556220
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-cyclohexyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
SMILESO=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1CC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C26H28N4O3/c31-24(30(19-9-3-1-4-10-19)20-11-5-2-6-12-20)17-29-25(32)23(28-26(29)33)15-18-16-27-22-14-8-7-13-21(18)22/h1,3-4,7-10,13-14,16,20,23,27H,2,5-6,11-12,15,17H2,(H,28,33)/t23-/m1/s1
InChIKeyZGKLLSYTHWVXCL-HSZRJFAPSA-N
XLogP4.00
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.00
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-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-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 7640114
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 47003741
N-cycloheptyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51556304
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,N-di(butan-2-yl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47009783
N-benzhydryl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 52506914
N-benzyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 2462867
N-benzyl-N-(1-cyclopropylethyl)-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 118972908
N-ethyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40854853
N-ethyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40854849

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
The IUPAC name of N-cyclohexyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide (CID 51556220) is N-cyclohexyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-cyclohexyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide is O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1CC(=O)N(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
The InChIKey is ZGKLLSYTHWVXCL-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H28N4O3/c31-24(30(19-9-3-1-4-10-19)20-11-5-2-6-12-20)17-29-25(32)23(28-26(29)33)15-18-16-27-22-14-8-7-13-21(18)22/h1,3-4,7-10,13-14,16,20,23,27H,2,5-6,11-12,15,17H2,(H,28,33)/t23-/m1/s1.
What are the key properties of N-cyclohexyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
N-cyclohexyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide has a molecular weight of 444.54 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 51556220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).