2-(2-oxoazepan-1-yl)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide

C23H24N4O2 — CID 135725807

IUPAC2-(2-oxoazepan-1-yl)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
SMILESO=C(CN1CCCCCC1=O)N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H24N4O2/c28-21(16-27-14-8-2-5-13-22(27)29)26-24-15-19-18-11-6-7-12-20(18)25-23(19)17-9-3-1-4-10-17/h1,3-4,6-7,9-12,15,25H,2,5,8,13-14,16H2,(H,26,28)/b24-15+
InChIKeyBHNONUQNCSSBQK-BUVRLJJBSA-N
MW388.47 g/mol
LogP3.69
Rot. Bonds5

About 2-(2-oxoazepan-1-yl)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide

2-(2-oxoazepan-1-yl)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide (PubChem CID 135725807) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(2-oxoazepan-1-yl)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-oxoazepan-1-yl)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
PubChem CID135725807
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(2-oxoazepan-1-yl)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
SMILESO=C(CN1CCCCCC1=O)N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H24N4O2/c28-21(16-27-14-8-2-5-13-22(27)29)26-24-15-19-18-11-6-7-12-20(18)25-23(19)17-9-3-1-4-10-17/h1,3-4,6-7,9-12,15,25H,2,5,8,13-14,16H2,(H,26,28)/b24-15+
InChIKeyBHNONUQNCSSBQK-BUVRLJJBSA-N
XLogP3.69
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 4854849
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135776758
ethyl 6-chloro-3-[(E)-[[2-(2-oxopyrrolidin-1-yl)acetyl]hydrazinylidene]methyl]-1H-indole-2-carboxylate
CID 155519576
N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide
CID 135785163
1-cyclohexyl-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]thiourea
CID 135758726
4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide
CID 172948018
N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-2-(2-oxoazepan-1-yl)acetamide
CID 135747952
N-[2-oxo-2-[2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]ethyl]-1,3-thiazole-4-carboxamide
CID 137156123
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 30359729
1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one
CID 14192560
2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583518
2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 71888287

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazepan-1-yl)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-oxoazepan-1-yl)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide (CID 135725807) is 2-(2-oxoazepan-1-yl)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-oxoazepan-1-yl)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-oxoazepan-1-yl)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide is O=C(CN1CCCCCC1=O)N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-(2-oxoazepan-1-yl)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide?
The InChIKey is BHNONUQNCSSBQK-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-21(16-27-14-8-2-5-13-22(27)29)26-24-15-19-18-11-6-7-12-20(18)25-23(19)17-9-3-1-4-10-17/h1,3-4,6-7,9-12,15,25H,2,5,8,13-14,16H2,(H,26,28)/b24-15+.
What are the key properties of 2-(2-oxoazepan-1-yl)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide?
2-(2-oxoazepan-1-yl)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide has a molecular weight of 388.47 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazepan-1-yl)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 135725807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).