N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide

C14H18N2O3 — CID 8696588

IUPACN'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)C1CCC1
InChIInChI=1S/C14H18N2O3/c1-10-5-2-3-8-12(10)19-9-13(17)15-16-14(18)11-6-4-7-11/h2-3,5,8,11H,4,6-7,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyAYTSWYDTIRFAHJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.32
Rot. Bonds4

About N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide

N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide (PubChem CID 8696588) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide
PubChem CID8696588
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)C1CCC1
InChIInChI=1S/C14H18N2O3/c1-10-5-2-3-8-12(10)19-9-13(17)15-16-14(18)11-6-4-7-11/h2-3,5,8,11H,4,6-7,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyAYTSWYDTIRFAHJ-UHFFFAOYSA-N
XLogP1.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.32
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-[[2-(2-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102199
N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 17050921
N'-[2-(2-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 3465565
N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide
CID 113099100
N'-(2-phenoxyacetyl)cyclohexanecarbohydrazide
CID 695727
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
4-cyclohexyl-N'-[2-(2-methylphenoxy)acetyl]butanehydrazide
CID 9470008
3-cyclohexyl-N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]propanamide
CID 4934778
N-[(E)-1-cyclopropylethylideneamino]-2-(2-methylphenoxy)acetamide
CID 5428181
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
CID 7700204
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110366114
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819454

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide?
The IUPAC name of N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide (CID 8696588) is N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide.
What is the SMILES notation for N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide?
The canonical SMILES for N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide is Cc1ccccc1OCC(=O)NNC(=O)C1CCC1.
What is the InChIKey of N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide?
The InChIKey is AYTSWYDTIRFAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-5-2-3-8-12(10)19-9-13(17)15-16-14(18)11-6-4-7-11/h2-3,5,8,11H,4,6-7,9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide?
N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide has a molecular weight of 262.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide is sourced from PubChem (CID 8696588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).