2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide

C25H25N3O2 — CID 10597071

IUPAC2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide
SMILESCOc1cccc2c1c(CC(=O)NN)c(C)n2Cc1ccccc1-c1ccccc1
InChIInChI=1S/C25H25N3O2/c1-17-21(15-24(29)27-26)25-22(13-8-14-23(25)30-2)28(17)16-19-11-6-7-12-20(19)18-9-4-3-5-10-18/h3-14H,15-16,26H2,1-2H3,(H,27,29)
InChIKeyRKTXMTQVJQCTKH-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.21
Rot. Bonds6

About 2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide

2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide (PubChem CID 10597071) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide.

Molecular Properties

Compound Name2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide
PubChem CID10597071
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide
SMILESCOc1cccc2c1c(CC(=O)NN)c(C)n2Cc1ccccc1-c1ccccc1
InChIInChI=1S/C25H25N3O2/c1-17-21(15-24(29)27-26)25-22(13-8-14-23(25)30-2)28(17)16-19-11-6-7-12-20(19)18-9-4-3-5-10-18/h3-14H,15-16,26H2,1-2H3,(H,27,29)
InChIKeyRKTXMTQVJQCTKH-UHFFFAOYSA-N
XLogP4.21
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide?
The IUPAC name of 2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide (CID 10597071) is 2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide.
What is the SMILES notation for 2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide?
The canonical SMILES for 2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide is COc1cccc2c1c(CC(=O)NN)c(C)n2Cc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide?
The InChIKey is RKTXMTQVJQCTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17-21(15-24(29)27-26)25-22(13-8-14-23(25)30-2)28(17)16-19-11-6-7-12-20(19)18-9-4-3-5-10-18/h3-14H,15-16,26H2,1-2H3,(H,27,29).
What are the key properties of 2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide?
2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide has a molecular weight of 399.49 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide is sourced from PubChem (CID 10597071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).