N'-(cyclohexanecarbonyl)-3-(methoxymethyl)benzohydrazide

C16H22N2O3 — CID 9327271

IUPACN'-(cyclohexanecarbonyl)-3-(methoxymethyl)benzohydrazide
SMILESCOCc1cccc(C(=O)NNC(=O)C2CCCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-21-11-12-6-5-9-14(10-12)16(20)18-17-15(19)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyXAZOHJABGXCCOI-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.17
Rot. Bonds4

About N'-(cyclohexanecarbonyl)-3-(methoxymethyl)benzohydrazide

N'-(cyclohexanecarbonyl)-3-(methoxymethyl)benzohydrazide (PubChem CID 9327271) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N'-(cyclohexanecarbonyl)-3-(methoxymethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(cyclohexanecarbonyl)-3-(methoxymethyl)benzohydrazide
PubChem CID9327271
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN'-(cyclohexanecarbonyl)-3-(methoxymethyl)benzohydrazide
SMILESCOCc1cccc(C(=O)NNC(=O)C2CCCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-21-11-12-6-5-9-14(10-12)16(20)18-17-15(19)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyXAZOHJABGXCCOI-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
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'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide
CID 9327285
azepan-1-yl-[1-[3-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029936
N'-[3-(methoxymethyl)benzoyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 9426553
1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[[3-(methoxymethyl)benzoyl]amino]thiourea
CID 11937231
1-tert-butyl-3-[[3-(methoxymethyl)benzoyl]amino]thiourea
CID 9425953
N'-(cyclohexanecarbonyl)-3,4-diethoxybenzohydrazide
CID 912683
3-(methoxymethyl)-N-prop-2-ynylbenzamide
CID 51219689
2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid
CID 62697280
3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide
CID 51726082
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
[1-[3-(methoxymethyl)benzoyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 51098117
3-(methoxymethyl)-N-propylbenzamide
CID 60667721

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexanecarbonyl)-3-(methoxymethyl)benzohydrazide?
The IUPAC name of N'-(cyclohexanecarbonyl)-3-(methoxymethyl)benzohydrazide (CID 9327271) is N'-(cyclohexanecarbonyl)-3-(methoxymethyl)benzohydrazide.
What is the SMILES notation for N'-(cyclohexanecarbonyl)-3-(methoxymethyl)benzohydrazide?
The canonical SMILES for N'-(cyclohexanecarbonyl)-3-(methoxymethyl)benzohydrazide is COCc1cccc(C(=O)NNC(=O)C2CCCCC2)c1.
What is the InChIKey of N'-(cyclohexanecarbonyl)-3-(methoxymethyl)benzohydrazide?
The InChIKey is XAZOHJABGXCCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-11-12-6-5-9-14(10-12)16(20)18-17-15(19)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(cyclohexanecarbonyl)-3-(methoxymethyl)benzohydrazide?
N'-(cyclohexanecarbonyl)-3-(methoxymethyl)benzohydrazide has a molecular weight of 290.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexanecarbonyl)-3-(methoxymethyl)benzohydrazide is sourced from PubChem (CID 9327271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).