N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide

C23H30N4O3 — CID 7550980

IUPACN'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30N4O3/c1-18-7-6-8-19(2)23(18)30-17-22(29)25-24-21(28)11-12-26-13-15-27(16-14-26)20-9-4-3-5-10-20/h3-10H,11-17H2,1-2H3,(H,24,28)(H,25,29)
InChIKeySYGVLMRZTLYVBD-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.04
Rot. Bonds7

About N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide

N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide (PubChem CID 7550980) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
PubChem CID7550980
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30N4O3/c1-18-7-6-8-19(2)23(18)30-17-22(29)25-24-21(28)11-12-26-13-15-27(16-14-26)20-9-4-3-5-10-20/h3-10H,11-17H2,1-2H3,(H,24,28)(H,25,29)
InChIKeySYGVLMRZTLYVBD-UHFFFAOYSA-N
XLogP2.04
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7891748
(2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide
CID 7551063
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 26523702
3-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 24979593
2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide
CID 31568257
5-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 26523718
3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 29354060
3,4-dimethyl-N-[2-oxo-2-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]ethyl]benzamide
CID 18281862
N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109019767
4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide
CID 8968237
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide
CID 2677075

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide?
The IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide (CID 7550980) is N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide?
The canonical SMILES for N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide is Cc1cccc(C)c1OCC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide?
The InChIKey is SYGVLMRZTLYVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-18-7-6-8-19(2)23(18)30-17-22(29)25-24-21(28)11-12-26-13-15-27(16-14-26)20-9-4-3-5-10-20/h3-10H,11-17H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide?
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide has a molecular weight of 410.52 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide is sourced from PubChem (CID 7550980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).