N-(2,4-dimethylphenyl)-4-[2-[4-(2-methoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide

C22H27N3O5 — CID 17353600

IUPACN-(2,4-dimethylphenyl)-4-[2-[4-(2-methoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide
SMILESCOCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C22H27N3O5/c1-15-4-9-19(16(2)14-15)23-20(26)10-11-21(27)24-25-22(28)17-5-7-18(8-6-17)30-13-12-29-3/h4-9,14H,10-13H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeySDRPUUHKTYOBKZ-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.51
Rot. Bonds9

About N-(2,4-dimethylphenyl)-4-[2-[4-(2-methoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide

N-(2,4-dimethylphenyl)-4-[2-[4-(2-methoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide (PubChem CID 17353600) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-[2-[4-(2-methoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-[2-[4-(2-methoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide
PubChem CID17353600
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC NameN-(2,4-dimethylphenyl)-4-[2-[4-(2-methoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide
SMILESCOCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C22H27N3O5/c1-15-4-9-19(16(2)14-15)23-20(26)10-11-21(27)24-25-22(28)17-5-7-18(8-6-17)30-13-12-29-3/h4-9,14H,10-13H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeySDRPUUHKTYOBKZ-UHFFFAOYSA-N
XLogP2.51
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide
CID 4948472
N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 3342447
N'-[2-(2,4-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353575
N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide
CID 3505980
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
N'-[4-(2-methoxyethoxy)benzoyl]-3-methylbenzohydrazide
CID 17353579
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 46755786
N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide
CID 4938660
N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide
CID 2091478
4-[2-(2,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 4026014
N-[[[4-(2,4-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]-4-fluorobenzamide
CID 5088528
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353571

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-[2-[4-(2-methoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-[2-[4-(2-methoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide (CID 17353600) is N-(2,4-dimethylphenyl)-4-[2-[4-(2-methoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-[2-[4-(2-methoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-[2-[4-(2-methoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide is COCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-[2-[4-(2-methoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide?
The InChIKey is SDRPUUHKTYOBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-15-4-9-19(16(2)14-15)23-20(26)10-11-21(27)24-25-22(28)17-5-7-18(8-6-17)30-13-12-29-3/h4-9,14H,10-13H2,1-3H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-(2,4-dimethylphenyl)-4-[2-[4-(2-methoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide?
N-(2,4-dimethylphenyl)-4-[2-[4-(2-methoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide has a molecular weight of 413.47 g/mol, XLogP of 2.51, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-[2-[4-(2-methoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 17353600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).