2-methyl-1-(4-phenylmethoxybenzoyl)indole-3-carbohydrazide

C24H21N3O3 — CID 99971684

IUPAC2-methyl-1-(4-phenylmethoxybenzoyl)indole-3-carbohydrazide
SMILESCc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H21N3O3/c1-16-22(23(28)26-25)20-9-5-6-10-21(20)27(16)24(29)18-11-13-19(14-12-18)30-15-17-7-3-2-4-8-17/h2-14H,15,25H2,1H3,(H,26,28)
InChIKeyOODVMOVVPBJKKY-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.82
Rot. Bonds5

About 2-methyl-1-(4-phenylmethoxybenzoyl)indole-3-carbohydrazide

2-methyl-1-(4-phenylmethoxybenzoyl)indole-3-carbohydrazide (PubChem CID 99971684) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-methyl-1-(4-phenylmethoxybenzoyl)indole-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-1-(4-phenylmethoxybenzoyl)indole-3-carbohydrazide
PubChem CID99971684
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-methyl-1-(4-phenylmethoxybenzoyl)indole-3-carbohydrazide
SMILESCc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H21N3O3/c1-16-22(23(28)26-25)20-9-5-6-10-21(20)27(16)24(29)18-11-13-19(14-12-18)30-15-17-7-3-2-4-8-17/h2-14H,15,25H2,1H3,(H,26,28)
InChIKeyOODVMOVVPBJKKY-UHFFFAOYSA-N
XLogP3.82
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide
CID 91690237
[3-(hydroxymethyl)-2-methylindol-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 99971797
1-(4-butoxybenzoyl)-2-methylindole-3-carboxamide
CID 91690683
4-[(4-phenylphenoxy)methyl]benzohydrazide
CID 2368822
benzyl 1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-carboxylate
CID 154136063
N-methyl-4-phenylmethoxybenzamide
CID 2996745
9-(4-chlorobenzoyl)-6-phenylmethoxycarbazole-3-carboxylic acid
CID 141445343
2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid
CID 91690277
4-phenylmethoxybenzoic acid
CID 68896574
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate
CID 66667117
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-phenylmethoxybenzoyl)indole-3-carbohydrazide?
The IUPAC name of 2-methyl-1-(4-phenylmethoxybenzoyl)indole-3-carbohydrazide (CID 99971684) is 2-methyl-1-(4-phenylmethoxybenzoyl)indole-3-carbohydrazide.
What is the SMILES notation for 2-methyl-1-(4-phenylmethoxybenzoyl)indole-3-carbohydrazide?
The canonical SMILES for 2-methyl-1-(4-phenylmethoxybenzoyl)indole-3-carbohydrazide is Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-methyl-1-(4-phenylmethoxybenzoyl)indole-3-carbohydrazide?
The InChIKey is OODVMOVVPBJKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-22(23(28)26-25)20-9-5-6-10-21(20)27(16)24(29)18-11-13-19(14-12-18)30-15-17-7-3-2-4-8-17/h2-14H,15,25H2,1H3,(H,26,28).
What are the key properties of 2-methyl-1-(4-phenylmethoxybenzoyl)indole-3-carbohydrazide?
2-methyl-1-(4-phenylmethoxybenzoyl)indole-3-carbohydrazide has a molecular weight of 399.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-phenylmethoxybenzoyl)indole-3-carbohydrazide is sourced from PubChem (CID 99971684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).