N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide

C16H22N2O3 — CID 965816

IUPACN'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-21-14-9-7-12(8-10-14)11-15(19)17-18-16(20)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyOUOPXOHVLAEBLB-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.97
Rot. Bonds4

About N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide

N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide (PubChem CID 965816) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide
PubChem CID965816
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-21-14-9-7-12(8-10-14)11-15(19)17-18-16(20)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyOUOPXOHVLAEBLB-UHFFFAOYSA-N
XLogP1.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.97
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-methoxyphenyl)ethanethioyl]cyclohexanecarboxamide
CID 150757406
N'-[2-(4-chlorophenyl)acetyl]cyclopentanecarbohydrazide
CID 26657650
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide
CID 9327312
N-[(1E,3Z)-1,4-diamino-4-cycloheptylbuta-1,3-dienyl]-2-(4-methoxyphenyl)acetamide
CID 144928500
2-(4-methoxyphenyl)-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]acetohydrazide
CID 18284769
2-(4-methoxyphenyl)-N-pyrrolidin-1-ylacetamide
CID 22146742
N'-[2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 3208084
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110364752
2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 36813059
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide
CID 51094307
1-(4-methoxyphenyl)sulfonyl-N'-(2-phenylacetyl)pyrrolidine-2-carbohydrazide
CID 42916304

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide?
The IUPAC name of N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide (CID 965816) is N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide?
The canonical SMILES for N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide is COc1ccc(CC(=O)NNC(=O)C2CCCCC2)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide?
The InChIKey is OUOPXOHVLAEBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-14-9-7-12(8-10-14)11-15(19)17-18-16(20)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide?
N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide has a molecular weight of 290.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide is sourced from PubChem (CID 965816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).