N'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide

C18H17N3O2 — CID 10542762

IUPACN'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide
SMILESCN(NC(=O)C(=O)c1cn(C)c2ccccc12)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-20-12-15(14-10-6-7-11-16(14)20)17(22)18(23)19-21(2)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,19,23)
InChIKeyWUOZCQQCPYAIOL-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.53
Rot. Bonds4

About N'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide

N'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide (PubChem CID 10542762) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide.

Molecular Properties

Compound NameN'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide
PubChem CID10542762
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide
SMILESCN(NC(=O)C(=O)c1cn(C)c2ccccc12)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-20-12-15(14-10-6-7-11-16(14)20)17(22)18(23)19-21(2)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,19,23)
InChIKeyWUOZCQQCPYAIOL-UHFFFAOYSA-N
XLogP2.53
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide
CID 113207654
2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 4918878
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
2-(1-methylindol-3-yl)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 113207737
N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 44596466
1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione
CID 153181750
N-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 113207749
N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 113207729
2,2-dimethyl-3-(1-methylindol-3-yl)-3-oxopropanoic acid
CID 116918097
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
1-methylindole-3-carbothioic S-acid
CID 116918837

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide?
The IUPAC name of N'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide (CID 10542762) is N'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide.
What is the SMILES notation for N'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide?
The canonical SMILES for N'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide is CN(NC(=O)C(=O)c1cn(C)c2ccccc12)c1ccccc1.
What is the InChIKey of N'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide?
The InChIKey is WUOZCQQCPYAIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-20-12-15(14-10-6-7-11-16(14)20)17(22)18(23)19-21(2)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,19,23).
What are the key properties of N'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide?
N'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide has a molecular weight of 307.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide is sourced from PubChem (CID 10542762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).