2-(4-methyl-2-propan-2-ylphenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide

C24H30N2O2 — CID 2391704

IUPAC2-(4-methyl-2-propan-2-ylphenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide
SMILESCc1ccc(OCC(=O)NNC2=CC[C@@H](c3ccccc3)CC2)c(C(C)C)c1
InChIInChI=1S/C24H30N2O2/c1-17(2)22-15-18(3)9-14-23(22)28-16-24(27)26-25-21-12-10-20(11-13-21)19-7-5-4-6-8-19/h4-9,12,14-15,17,20,25H,10-11,13,16H2,1-3H3,(H,26,27)/t20-/m1/s1
InChIKeyUHHURZDAHBEOLK-HXUWFJFHSA-N
MW378.52 g/mol
LogP4.97
Rot. Bonds7

About 2-(4-methyl-2-propan-2-ylphenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide

2-(4-methyl-2-propan-2-ylphenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide (PubChem CID 2391704) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-(4-methyl-2-propan-2-ylphenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-(4-methyl-2-propan-2-ylphenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide
PubChem CID2391704
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2-(4-methyl-2-propan-2-ylphenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide
SMILESCc1ccc(OCC(=O)NNC2=CC[C@@H](c3ccccc3)CC2)c(C(C)C)c1
InChIInChI=1S/C24H30N2O2/c1-17(2)22-15-18(3)9-14-23(22)28-16-24(27)26-25-21-12-10-20(11-13-21)19-7-5-4-6-8-19/h4-9,12,14-15,17,20,25H,10-11,13,16H2,1-3H3,(H,26,27)/t20-/m1/s1
InChIKeyUHHURZDAHBEOLK-HXUWFJFHSA-N
XLogP4.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methyl-2-propan-2-ylphenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide
CID 2400029
N'-[(4S)-4-methylcyclohexen-1-yl]-2-(2-phenylphenoxy)acetohydrazide
CID 2378280
N-[(4-ethylcyclohexylidene)amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide
CID 4250895
2-(2-bromophenoxy)-N'-(4-methylcyclohexen-1-yl)acetohydrazide
CID 4251579
2-methyl-N'-[(4R)-4-phenylcyclohexen-1-yl]furan-3-carbohydrazide
CID 2386188
N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide
CID 7392334
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide
CID 7392333
N-cyclopentyl-2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]acetamide
CID 63366475
2-(2-chlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 24537782
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
2-(3-methylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 3493807
N'-(cyclopenten-1-yl)-2-(2-phenylphenoxy)acetohydrazide
CID 2367765

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-propan-2-ylphenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide?
The IUPAC name of 2-(4-methyl-2-propan-2-ylphenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide (CID 2391704) is 2-(4-methyl-2-propan-2-ylphenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide.
What is the SMILES notation for 2-(4-methyl-2-propan-2-ylphenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide?
The canonical SMILES for 2-(4-methyl-2-propan-2-ylphenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide is Cc1ccc(OCC(=O)NNC2=CC[C@@H](c3ccccc3)CC2)c(C(C)C)c1.
What is the InChIKey of 2-(4-methyl-2-propan-2-ylphenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide?
The InChIKey is UHHURZDAHBEOLK-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-17(2)22-15-18(3)9-14-23(22)28-16-24(27)26-25-21-12-10-20(11-13-21)19-7-5-4-6-8-19/h4-9,12,14-15,17,20,25H,10-11,13,16H2,1-3H3,(H,26,27)/t20-/m1/s1.
What are the key properties of 2-(4-methyl-2-propan-2-ylphenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide?
2-(4-methyl-2-propan-2-ylphenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide has a molecular weight of 378.52 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-propan-2-ylphenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide is sourced from PubChem (CID 2391704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).