2-methyl-N-[3-methyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]benzamide

C19H23N3O2 — CID 78774636

IUPAC2-methyl-N-[3-methyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(C(=O)NNc1ccccc1)C(C)C
InChIInChI=1S/C19H23N3O2/c1-13(2)17(19(24)22-21-15-10-5-4-6-11-15)20-18(23)16-12-8-7-9-14(16)3/h4-13,17,21H,1-3H3,(H,20,23)(H,22,24)
InChIKeyLRSHMGSBCZTKEA-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.89
Rot. Bonds6

About 2-methyl-N-[3-methyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]benzamide

2-methyl-N-[3-methyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]benzamide (PubChem CID 78774636) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]benzamide
PubChem CID78774636
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-methyl-N-[3-methyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(C(=O)NNc1ccccc1)C(C)C
InChIInChI=1S/C19H23N3O2/c1-13(2)17(19(24)22-21-15-10-5-4-6-11-15)20-18(23)16-12-8-7-9-14(16)3/h4-13,17,21H,1-3H3,(H,20,23)(H,22,24)
InChIKeyLRSHMGSBCZTKEA-UHFFFAOYSA-N
XLogP2.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoic acid
CID 2393671
2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51149358
N-[1-(3-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51149888
3-[[(2R)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]benzoic acid
CID 40917495
2-methyl-N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide
CID 30157647
N-[1-(3-iodoanilino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 46421831
2-[methyl-[3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]propanoic acid
CID 119358802
2-methyl-N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 9138694
N-[(2S)-1-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 99845714
2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide
CID 55748966
N-[1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51147223
N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 2582323

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[3-methyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]benzamide (CID 78774636) is 2-methyl-N-[3-methyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[3-methyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]benzamide is Cc1ccccc1C(=O)NC(C(=O)NNc1ccccc1)C(C)C.
What is the InChIKey of 2-methyl-N-[3-methyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]benzamide?
The InChIKey is LRSHMGSBCZTKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(2)17(19(24)22-21-15-10-5-4-6-11-15)20-18(23)16-12-8-7-9-14(16)3/h4-13,17,21H,1-3H3,(H,20,23)(H,22,24).
What are the key properties of 2-methyl-N-[3-methyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]benzamide?
2-methyl-N-[3-methyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]benzamide is sourced from PubChem (CID 78774636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).