4-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide

C21H24N4O4 — CID 2206813

IUPAC4-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
SMILESCC(=O)c1cccc(NC(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C21H24N4O4/c1-13-7-8-18(11-14(13)2)22-19(27)9-10-20(28)24-25-21(29)23-17-6-4-5-16(12-17)15(3)26/h4-8,11-12H,9-10H2,1-3H3,(H,22,27)(H,24,28)(H2,23,25,29)
InChIKeyZWGGPQLPYBGEBS-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.08
Rot. Bonds6

About 4-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide

4-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide (PubChem CID 2206813) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
PubChem CID2206813
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name4-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
SMILESCC(=O)c1cccc(NC(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C21H24N4O4/c1-13-7-8-18(11-14(13)2)22-19(27)9-10-20(28)24-25-21(29)23-17-6-4-5-16(12-17)15(3)26/h4-8,11-12H,9-10H2,1-3H3,(H,22,27)(H,24,28)(H2,23,25,29)
InChIKeyZWGGPQLPYBGEBS-UHFFFAOYSA-N
XLogP3.08
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of 4-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide (CID 2206813) is 4-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide is CC(=O)c1cccc(NC(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of 4-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide?
The InChIKey is ZWGGPQLPYBGEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-13-7-8-18(11-14(13)2)22-19(27)9-10-20(28)24-25-21(29)23-17-6-4-5-16(12-17)15(3)26/h4-8,11-12H,9-10H2,1-3H3,(H,22,27)(H,24,28)(H2,23,25,29).
What are the key properties of 4-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide?
4-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide has a molecular weight of 396.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 2206813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).