4-[2-(5-bromo-2-propoxybenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide

C22H26BrN3O4 — CID 17351757

IUPAC4-[2-(5-bromo-2-propoxybenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide
SMILESCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C22H26BrN3O4/c1-4-11-30-19-8-6-16(23)13-17(19)22(29)26-25-21(28)10-9-20(27)24-18-7-5-14(2)12-15(18)3/h5-8,12-13H,4,9-11H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyMPDNYVCOVIFUEX-UHFFFAOYSA-N
MW476.37 g/mol
LogP4.03
Rot. Bonds8

About 4-[2-(5-bromo-2-propoxybenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide

4-[2-(5-bromo-2-propoxybenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide (PubChem CID 17351757) has the molecular formula C22H26BrN3O4 and a molecular weight of 476.37 g/mol. Its IUPAC name is 4-[2-(5-bromo-2-propoxybenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-(5-bromo-2-propoxybenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide
PubChem CID17351757
Molecular FormulaC22H26BrN3O4
Molecular Weight476.37 g/mol
Exact Mass475.11
IUPAC Name4-[2-(5-bromo-2-propoxybenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide
SMILESCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C22H26BrN3O4/c1-4-11-30-19-8-6-16(23)13-17(19)22(29)26-25-21(28)10-9-20(27)24-18-7-5-14(2)12-15(18)3/h5-8,12-13H,4,9-11H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyMPDNYVCOVIFUEX-UHFFFAOYSA-N
XLogP4.03
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.37
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(5-bromo-2-hexoxybenzoyl)hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 17343509
5-bromo-2-butoxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide
CID 17350359
5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 17351395
5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide
CID 17351741
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17350231
4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 17353033
4-[2-[5-bromo-2-(3-methylbutoxy)benzoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
CID 17350890
N-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4942283
5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide
CID 46760619
5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide
CID 17351460
5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 17350208

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromo-2-propoxybenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of 4-[2-(5-bromo-2-propoxybenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide (CID 17351757) is 4-[2-(5-bromo-2-propoxybenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-[2-(5-bromo-2-propoxybenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-[2-(5-bromo-2-propoxybenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide is CCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of 4-[2-(5-bromo-2-propoxybenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide?
The InChIKey is MPDNYVCOVIFUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3O4/c1-4-11-30-19-8-6-16(23)13-17(19)22(29)26-25-21(28)10-9-20(27)24-18-7-5-14(2)12-15(18)3/h5-8,12-13H,4,9-11H2,1-3H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of 4-[2-(5-bromo-2-propoxybenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide?
4-[2-(5-bromo-2-propoxybenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide has a molecular weight of 476.37 g/mol, XLogP of 4.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromo-2-propoxybenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 17351757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).