N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide

C22H27N3O4 — CID 4513811

IUPACN-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
SMILESCC(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C22H27N3O4/c1-16(2)18-8-10-19(11-9-18)29-15-22(28)25-24-21(27)13-12-20(26)23-14-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyMAGZHYOAKNTOAA-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.43
Rot. Bonds9

About N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide

N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide (PubChem CID 4513811) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide.

Molecular Properties

Compound NameN-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
PubChem CID4513811
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
SMILESCC(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C22H27N3O4/c1-16(2)18-8-10-19(11-9-18)29-15-22(28)25-24-21(27)13-12-20(26)23-14-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyMAGZHYOAKNTOAA-UHFFFAOYSA-N
XLogP2.43
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.43
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-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide
CID 4953845
N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 3975878
3-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 19168024
N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1122194
1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
CID 4506492
N'-(2-naphthalen-1-yloxyacetyl)-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502710
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598174
N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513816
N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 30384331
N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide
CID 4732905
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 2210337
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4940013

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide?
The IUPAC name of N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide (CID 4513811) is N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide.
What is the SMILES notation for N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide?
The canonical SMILES for N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide is CC(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide?
The InChIKey is MAGZHYOAKNTOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-16(2)18-8-10-19(11-9-18)29-15-22(28)25-24-21(27)13-12-20(26)23-14-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide?
N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide has a molecular weight of 397.48 g/mol, XLogP of 2.43, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide is sourced from PubChem (CID 4513811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).