2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide

C21H24N2O3 — CID 54786447

IUPAC2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)CC1CCCC1
InChIInChI=1S/C21H24N2O3/c24-20(14-16-6-4-5-7-16)22-23-21(25)15-26-19-12-10-18(11-13-19)17-8-2-1-3-9-17/h1-3,8-13,16H,4-7,14-15H2,(H,22,24)(H,23,25)
InChIKeySJYGHNRIWVBCCB-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.46
Rot. Bonds6

About 2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide

2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide (PubChem CID 54786447) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide
PubChem CID54786447
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)CC1CCCC1
InChIInChI=1S/C21H24N2O3/c24-20(14-16-6-4-5-7-16)22-23-21(25)15-26-19-12-10-18(11-13-19)17-8-2-1-3-9-17/h1-3,8-13,16H,4-7,14-15H2,(H,22,24)(H,23,25)
InChIKeySJYGHNRIWVBCCB-UHFFFAOYSA-N
XLogP3.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 4513389
1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea
CID 1294961
N'-acetyl-2-(4-phenylphenoxy)acetohydrazide
CID 3274977
N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962
N'-(2-phenoxyacetyl)cyclohexanecarbohydrazide
CID 695727
4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid
CID 3272793
1-(cyclohexylmethoxy)-4-phenylbenzene
CID 59950067
N-carbamoyl-2-(4-phenylphenoxy)acetamide
CID 7868557
1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea
CID 19167980
2-naphthalen-1-yl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide
CID 4513399
N-(cyclopentylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4562068
2-cyclopentyl-1-(4-phenylphenyl)ethanone
CID 23550345

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide (CID 54786447) is 2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide is O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide?
The InChIKey is SJYGHNRIWVBCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(14-16-6-4-5-7-16)22-23-21(25)15-26-19-12-10-18(11-13-19)17-8-2-1-3-9-17/h1-3,8-13,16H,4-7,14-15H2,(H,22,24)(H,23,25).
What are the key properties of 2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide?
2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide has a molecular weight of 352.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 54786447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).