N-(2,5-dimethylphenyl)-4-oxo-4-[2-(2-propan-2-yloxybenzoyl)hydrazinyl]butanamide

C22H27N3O4 — CID 17045660

IUPACN-(2,5-dimethylphenyl)-4-oxo-4-[2-(2-propan-2-yloxybenzoyl)hydrazinyl]butanamide
SMILESCc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccccc2OC(C)C)c1
InChIInChI=1S/C22H27N3O4/c1-14(2)29-19-8-6-5-7-17(19)22(28)25-24-21(27)12-11-20(26)23-18-13-15(3)9-10-16(18)4/h5-10,13-14H,11-12H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeySVFHJBAPAQHVLF-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.27
Rot. Bonds7

About N-(2,5-dimethylphenyl)-4-oxo-4-[2-(2-propan-2-yloxybenzoyl)hydrazinyl]butanamide

N-(2,5-dimethylphenyl)-4-oxo-4-[2-(2-propan-2-yloxybenzoyl)hydrazinyl]butanamide (PubChem CID 17045660) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-oxo-4-[2-(2-propan-2-yloxybenzoyl)hydrazinyl]butanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-oxo-4-[2-(2-propan-2-yloxybenzoyl)hydrazinyl]butanamide
PubChem CID17045660
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-(2,5-dimethylphenyl)-4-oxo-4-[2-(2-propan-2-yloxybenzoyl)hydrazinyl]butanamide
SMILESCc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccccc2OC(C)C)c1
InChIInChI=1S/C22H27N3O4/c1-14(2)29-19-8-6-5-7-17(19)22(28)25-24-21(27)12-11-20(26)23-18-13-15(3)9-10-16(18)4/h5-10,13-14H,11-12H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeySVFHJBAPAQHVLF-UHFFFAOYSA-N
XLogP3.27
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.27
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

N-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4942283
N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide
CID 26500169
4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 4945001
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 17050900
N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 3342447
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 82153666
N-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide
CID 4948472
4-[2-(3-bromo-4-methylbenzoyl)hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 4554325
N-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513201
N-(2,5-dimethylphenyl)-4-methoxy-2-propan-2-yloxybenzamide
CID 119046619
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide
CID 17169456
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-oxo-4-[2-(2-propan-2-yloxybenzoyl)hydrazinyl]butanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-oxo-4-[2-(2-propan-2-yloxybenzoyl)hydrazinyl]butanamide (CID 17045660) is N-(2,5-dimethylphenyl)-4-oxo-4-[2-(2-propan-2-yloxybenzoyl)hydrazinyl]butanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-oxo-4-[2-(2-propan-2-yloxybenzoyl)hydrazinyl]butanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-oxo-4-[2-(2-propan-2-yloxybenzoyl)hydrazinyl]butanamide is Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccccc2OC(C)C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-oxo-4-[2-(2-propan-2-yloxybenzoyl)hydrazinyl]butanamide?
The InChIKey is SVFHJBAPAQHVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-14(2)29-19-8-6-5-7-17(19)22(28)25-24-21(27)12-11-20(26)23-18-13-15(3)9-10-16(18)4/h5-10,13-14H,11-12H2,1-4H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-(2,5-dimethylphenyl)-4-oxo-4-[2-(2-propan-2-yloxybenzoyl)hydrazinyl]butanamide?
N-(2,5-dimethylphenyl)-4-oxo-4-[2-(2-propan-2-yloxybenzoyl)hydrazinyl]butanamide has a molecular weight of 397.48 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-oxo-4-[2-(2-propan-2-yloxybenzoyl)hydrazinyl]butanamide is sourced from PubChem (CID 17045660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).