N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide

C22H23N3O3 — CID 40717339

IUPACN'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide
SMILESCc1ccc(C)c(C(=O)CCC(=O)NNC(=O)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C22H23N3O3/c1-14-8-9-15(2)17(12-14)20(26)10-11-21(27)23-24-22(28)18-13-25(3)19-7-5-4-6-16(18)19/h4-9,12-13H,10-11H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyDUVZZMBONHSCGM-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.22
Rot. Bonds5

About N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide

N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide (PubChem CID 40717339) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide
PubChem CID40717339
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide
SMILESCc1ccc(C)c(C(=O)CCC(=O)NNC(=O)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C22H23N3O3/c1-14-8-9-15(2)17(12-14)20(26)10-11-21(27)23-24-22(28)18-13-25(3)19-7-5-4-6-16(18)19/h4-9,12-13H,10-11H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyDUVZZMBONHSCGM-UHFFFAOYSA-N
XLogP3.22
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.22
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

2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 55408588
N'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 40717303
N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide
CID 31737928
N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 7979951
1-benzyl-3-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]thiourea
CID 18230613
1-(3,5-dimethylphenyl)-3-[(1-methylindole-3-carbonyl)amino]thiourea
CID 8001040
1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide
CID 24607822
N-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide
CID 55556337
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide
CID 40717487
1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide
CID 26815658
1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide
CID 25468814

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide?
The IUPAC name of N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide (CID 40717339) is N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide.
What is the SMILES notation for N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide?
The canonical SMILES for N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide is Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)c2cn(C)c3ccccc23)c1.
What is the InChIKey of N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide?
The InChIKey is DUVZZMBONHSCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-8-9-15(2)17(12-14)20(26)10-11-21(27)23-24-22(28)18-13-25(3)19-7-5-4-6-16(18)19/h4-9,12-13H,10-11H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide?
N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide has a molecular weight of 377.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide is sourced from PubChem (CID 40717339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).