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

C23H29N3O4 — CID 4953845

IUPACN-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NNC(=O)CCC(=O)NCc1ccccc1
InChIInChI=1S/C23H29N3O4/c1-16(2)19-9-11-20(12-10-19)30-17(3)23(29)26-25-22(28)14-13-21(27)24-15-18-7-5-4-6-8-18/h4-12,16-17H,13-15H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyLEHCZLWJHNNXMZ-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.82
Rot. Bonds9

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

N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide (PubChem CID 4953845) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide.

Molecular Properties

Compound NameN-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide
PubChem CID4953845
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NNC(=O)CCC(=O)NCc1ccccc1
InChIInChI=1S/C23H29N3O4/c1-16(2)19-9-11-20(12-10-19)30-17(3)23(29)26-25-22(28)14-13-21(27)24-15-18-7-5-4-6-8-18/h4-12,16-17H,13-15H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyLEHCZLWJHNNXMZ-UHFFFAOYSA-N
XLogP2.82
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.82
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

(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
CID 9239248
N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513811
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4940013
N-benzyl-4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 4945000
N'-[2-(2-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953840
(2R)-N'-benzyl-2-phenoxypropanehydrazide
CID 93092168
2-(4-ethylphenoxy)-N'-(2-phenylacetyl)propanehydrazide
CID 4953447
4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4942937
(2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9241096
4-[2-[2-(4-methylphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4928607
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
N-(2,4-dichlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide
CID 4953857

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide?
The IUPAC name of N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide (CID 4953845) is N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide.
What is the SMILES notation for N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide?
The canonical SMILES for N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide is CC(Oc1ccc(C(C)C)cc1)C(=O)NNC(=O)CCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide?
The InChIKey is LEHCZLWJHNNXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-16(2)19-9-11-20(12-10-19)30-17(3)23(29)26-25-22(28)14-13-21(27)24-15-18-7-5-4-6-8-18/h4-12,16-17H,13-15H2,1-3H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide?
N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide has a molecular weight of 411.50 g/mol, XLogP of 2.82, 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)propanoyl]hydrazinyl]butanamide is sourced from PubChem (CID 4953845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).