4-(4-methyl-3-nitrophenoxy)cyclohexane-1-carbohydrazide

C14H19N3O4 — CID 126751025

IUPAC4-(4-methyl-3-nitrophenoxy)cyclohexane-1-carbohydrazide
SMILESCc1ccc(OC2CCC(C(=O)NN)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-9-2-5-12(8-13(9)17(19)20)21-11-6-3-10(4-7-11)14(18)16-15/h2,5,8,10-11H,3-4,6-7,15H2,1H3,(H,16,18)
InChIKeyLNIBUOBIJZPOEY-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.83
Rot. Bonds4

About 4-(4-methyl-3-nitrophenoxy)cyclohexane-1-carbohydrazide

4-(4-methyl-3-nitrophenoxy)cyclohexane-1-carbohydrazide (PubChem CID 126751025) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-(4-methyl-3-nitrophenoxy)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name4-(4-methyl-3-nitrophenoxy)cyclohexane-1-carbohydrazide
PubChem CID126751025
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-(4-methyl-3-nitrophenoxy)cyclohexane-1-carbohydrazide
SMILESCc1ccc(OC2CCC(C(=O)NN)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-9-2-5-12(8-13(9)17(19)20)21-11-6-3-10(4-7-11)14(18)16-15/h2,5,8,10-11H,3-4,6-7,15H2,1H3,(H,16,18)
InChIKeyLNIBUOBIJZPOEY-UHFFFAOYSA-N
XLogP1.83
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methyl-3-nitrophenoxy)pyrrolidine
CID 62911830
3-[3-(4-methyl-3-nitrophenoxy)piperidin-1-yl]propanoic acid
CID 84755672
1-methyl-2-nitro-4-propan-2-yloxybenzene
CID 68969048
4-(4,4-dimethylcyclohexyl)oxy-2-nitrobenzoic acid
CID 114340766
5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide
CID 63574932
1-(5-cyclohexyloxy-2-nitrophenyl)ethanone
CID 104613740
4-(4-methyl-3-nitroanilino)piperidine-1-carboxamide
CID 43785542
4-(4-methoxy-2-nitroanilino)cyclohexane-1-carboxylic acid
CID 60808258
4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide
CID 103145443
4-(3-bromo-2-methoxycyclobutyl)oxy-1-methyl-2-nitrobenzene
CID 114252636
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine
CID 63675702

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-nitrophenoxy)cyclohexane-1-carbohydrazide?
The IUPAC name of 4-(4-methyl-3-nitrophenoxy)cyclohexane-1-carbohydrazide (CID 126751025) is 4-(4-methyl-3-nitrophenoxy)cyclohexane-1-carbohydrazide.
What is the SMILES notation for 4-(4-methyl-3-nitrophenoxy)cyclohexane-1-carbohydrazide?
The canonical SMILES for 4-(4-methyl-3-nitrophenoxy)cyclohexane-1-carbohydrazide is Cc1ccc(OC2CCC(C(=O)NN)CC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(4-methyl-3-nitrophenoxy)cyclohexane-1-carbohydrazide?
The InChIKey is LNIBUOBIJZPOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-2-5-12(8-13(9)17(19)20)21-11-6-3-10(4-7-11)14(18)16-15/h2,5,8,10-11H,3-4,6-7,15H2,1H3,(H,16,18).
What are the key properties of 4-(4-methyl-3-nitrophenoxy)cyclohexane-1-carbohydrazide?
4-(4-methyl-3-nitrophenoxy)cyclohexane-1-carbohydrazide has a molecular weight of 293.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-nitrophenoxy)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 126751025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).