methyl 2-cyano-2-cyclopentyl-2-[2-(4-phenylmethoxyphenyl)hydrazinyl]acetate

C22H25N3O3 — CID 129170988

IUPACmethyl 2-cyano-2-cyclopentyl-2-[2-(4-phenylmethoxyphenyl)hydrazinyl]acetate
SMILESCOC(=O)C(C#N)(NNc1ccc(OCc2ccccc2)cc1)C1CCCC1
InChIInChI=1S/C22H25N3O3/c1-27-21(26)22(16-23,18-9-5-6-10-18)25-24-19-11-13-20(14-12-19)28-15-17-7-3-2-4-8-17/h2-4,7-8,11-14,18,24-25H,5-6,9-10,15H2,1H3
InChIKeyGVCUAEJKYAMGCU-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.81
Rot. Bonds8

About methyl 2-cyano-2-cyclopentyl-2-[2-(4-phenylmethoxyphenyl)hydrazinyl]acetate

methyl 2-cyano-2-cyclopentyl-2-[2-(4-phenylmethoxyphenyl)hydrazinyl]acetate (PubChem CID 129170988) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is methyl 2-cyano-2-cyclopentyl-2-[2-(4-phenylmethoxyphenyl)hydrazinyl]acetate.

Molecular Properties

Compound Namemethyl 2-cyano-2-cyclopentyl-2-[2-(4-phenylmethoxyphenyl)hydrazinyl]acetate
PubChem CID129170988
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Namemethyl 2-cyano-2-cyclopentyl-2-[2-(4-phenylmethoxyphenyl)hydrazinyl]acetate
SMILESCOC(=O)C(C#N)(NNc1ccc(OCc2ccccc2)cc1)C1CCCC1
InChIInChI=1S/C22H25N3O3/c1-27-21(26)22(16-23,18-9-5-6-10-18)25-24-19-11-13-20(14-12-19)28-15-17-7-3-2-4-8-17/h2-4,7-8,11-14,18,24-25H,5-6,9-10,15H2,1H3
InChIKeyGVCUAEJKYAMGCU-UHFFFAOYSA-N
XLogP3.81
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-cyclopropyl-2-(methoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate
CID 10737815
N-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide
CID 108959064
methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
CID 563862
3-O-benzyl 1-O-methyl 2,2-dicyclohexylpropanedioate
CID 175180069
2-[acetyl(cyclopentyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113159367
cyclopentyl-dimethyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium
CID 8875841
2-methyl-N-(4-phenylmethoxyphenyl)piperidine-1-carboxamide
CID 3853600
dimethyl 2-[(4-phenylmethoxyanilino)methylidene]propanedioate
CID 140877905
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
cyclooctyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium
CID 2317950
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyano-2-cyclopentyl-2-[2-(4-phenylmethoxyphenyl)hydrazinyl]acetate?
The IUPAC name of methyl 2-cyano-2-cyclopentyl-2-[2-(4-phenylmethoxyphenyl)hydrazinyl]acetate (CID 129170988) is methyl 2-cyano-2-cyclopentyl-2-[2-(4-phenylmethoxyphenyl)hydrazinyl]acetate.
What is the SMILES notation for methyl 2-cyano-2-cyclopentyl-2-[2-(4-phenylmethoxyphenyl)hydrazinyl]acetate?
The canonical SMILES for methyl 2-cyano-2-cyclopentyl-2-[2-(4-phenylmethoxyphenyl)hydrazinyl]acetate is COC(=O)C(C#N)(NNc1ccc(OCc2ccccc2)cc1)C1CCCC1.
What is the InChIKey of methyl 2-cyano-2-cyclopentyl-2-[2-(4-phenylmethoxyphenyl)hydrazinyl]acetate?
The InChIKey is GVCUAEJKYAMGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-27-21(26)22(16-23,18-9-5-6-10-18)25-24-19-11-13-20(14-12-19)28-15-17-7-3-2-4-8-17/h2-4,7-8,11-14,18,24-25H,5-6,9-10,15H2,1H3.
What are the key properties of methyl 2-cyano-2-cyclopentyl-2-[2-(4-phenylmethoxyphenyl)hydrazinyl]acetate?
methyl 2-cyano-2-cyclopentyl-2-[2-(4-phenylmethoxyphenyl)hydrazinyl]acetate has a molecular weight of 379.46 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyano-2-cyclopentyl-2-[2-(4-phenylmethoxyphenyl)hydrazinyl]acetate is sourced from PubChem (CID 129170988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).