N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-1H-indole-3-carbohydrazide

C23H23N3O3 — CID 30144549

IUPACN'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-1H-indole-3-carbohydrazide
SMILESCc1cc2occ(CC(=O)NNC(=O)c3c[nH]c4ccccc34)c2cc1C(C)C
InChIInChI=1S/C23H23N3O3/c1-13(2)17-10-18-15(12-29-21(18)8-14(17)3)9-22(27)25-26-23(28)19-11-24-20-7-5-4-6-16(19)20/h4-8,10-13,24H,9H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyWFVCZPKSBITUHA-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.35
Rot. Bonds4

About N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-1H-indole-3-carbohydrazide

N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-1H-indole-3-carbohydrazide (PubChem CID 30144549) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-1H-indole-3-carbohydrazide
PubChem CID30144549
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-1H-indole-3-carbohydrazide
SMILESCc1cc2occ(CC(=O)NNC(=O)c3c[nH]c4ccccc34)c2cc1C(C)C
InChIInChI=1S/C23H23N3O3/c1-13(2)17-10-18-15(12-29-21(18)8-14(17)3)9-22(27)25-26-23(28)19-11-24-20-7-5-4-6-16(19)20/h4-8,10-13,24H,9H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyWFVCZPKSBITUHA-UHFFFAOYSA-N
XLogP4.35
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 78783686
N-(1H-benzimidazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 2128598
N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetohydrazide
CID 24634756
methyl 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]acetate
CID 18159169
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 24560804
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 18102254
N-(4-chlorophenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3952241
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3367131
N-[4-(carbamoylamino)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 33150978
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
CID 18872065

Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-1H-indole-3-carbohydrazide?
The IUPAC name of N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-1H-indole-3-carbohydrazide (CID 30144549) is N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-1H-indole-3-carbohydrazide is Cc1cc2occ(CC(=O)NNC(=O)c3c[nH]c4ccccc34)c2cc1C(C)C.
What is the InChIKey of N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-1H-indole-3-carbohydrazide?
The InChIKey is WFVCZPKSBITUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-13(2)17-10-18-15(12-29-21(18)8-14(17)3)9-22(27)25-26-23(28)19-11-24-20-7-5-4-6-16(19)20/h4-8,10-13,24H,9H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-1H-indole-3-carbohydrazide?
N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-1H-indole-3-carbohydrazide has a molecular weight of 389.46 g/mol, XLogP of 4.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-1H-indole-3-carbohydrazide is sourced from PubChem (CID 30144549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).