N'-(2-indol-1-ylacetyl)-2-(4-phenylphenoxy)propanehydrazide

C25H23N3O3 — CID 17080362

IUPACN'-(2-indol-1-ylacetyl)-2-(4-phenylphenoxy)propanehydrazide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C25H23N3O3/c1-18(31-22-13-11-20(12-14-22)19-7-3-2-4-8-19)25(30)27-26-24(29)17-28-16-15-21-9-5-6-10-23(21)28/h2-16,18H,17H2,1H3,(H,26,29)(H,27,30)
InChIKeyPLBNUFIQZJAHQG-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.92
Rot. Bonds6

About N'-(2-indol-1-ylacetyl)-2-(4-phenylphenoxy)propanehydrazide

N'-(2-indol-1-ylacetyl)-2-(4-phenylphenoxy)propanehydrazide (PubChem CID 17080362) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N'-(2-indol-1-ylacetyl)-2-(4-phenylphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-(2-indol-1-ylacetyl)-2-(4-phenylphenoxy)propanehydrazide
PubChem CID17080362
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN'-(2-indol-1-ylacetyl)-2-(4-phenylphenoxy)propanehydrazide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C25H23N3O3/c1-18(31-22-13-11-20(12-14-22)19-7-3-2-4-8-19)25(30)27-26-24(29)17-28-16-15-21-9-5-6-10-23(21)28/h2-16,18H,17H2,1H3,(H,26,29)(H,27,30)
InChIKeyPLBNUFIQZJAHQG-UHFFFAOYSA-N
XLogP3.92
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide
CID 17080332
N'-(2-indol-1-ylacetyl)-2-(3-methylphenoxy)propanehydrazide
CID 17080326
2-(2,4-dichlorophenoxy)-N'-(2-indol-1-ylacetyl)propanehydrazide
CID 17080287
N'-(2-indol-1-ylacetyl)-2,2-diphenylacetohydrazide
CID 17080273
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4951968
N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide
CID 42427000
4-methyl-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide
CID 4951976
2-[[(2-indol-1-ylacetyl)amino]carbamoyl]benzoic acid
CID 17080252
4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4942937
(2R)-2-naphthalen-2-yloxy-N'-propanoylpropanehydrazide
CID 8757548
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
1-phenyl-3-[[(2R)-2-(4-phenylphenoxy)propanoyl]amino]thiourea
CID 39819113

Frequently Asked Questions

What is the IUPAC name of N'-(2-indol-1-ylacetyl)-2-(4-phenylphenoxy)propanehydrazide?
The IUPAC name of N'-(2-indol-1-ylacetyl)-2-(4-phenylphenoxy)propanehydrazide (CID 17080362) is N'-(2-indol-1-ylacetyl)-2-(4-phenylphenoxy)propanehydrazide.
What is the SMILES notation for N'-(2-indol-1-ylacetyl)-2-(4-phenylphenoxy)propanehydrazide?
The canonical SMILES for N'-(2-indol-1-ylacetyl)-2-(4-phenylphenoxy)propanehydrazide is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)Cn1ccc2ccccc21.
What is the InChIKey of N'-(2-indol-1-ylacetyl)-2-(4-phenylphenoxy)propanehydrazide?
The InChIKey is PLBNUFIQZJAHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-18(31-22-13-11-20(12-14-22)19-7-3-2-4-8-19)25(30)27-26-24(29)17-28-16-15-21-9-5-6-10-23(21)28/h2-16,18H,17H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N'-(2-indol-1-ylacetyl)-2-(4-phenylphenoxy)propanehydrazide?
N'-(2-indol-1-ylacetyl)-2-(4-phenylphenoxy)propanehydrazide has a molecular weight of 413.48 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-indol-1-ylacetyl)-2-(4-phenylphenoxy)propanehydrazide is sourced from PubChem (CID 17080362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).