4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide

C16H25N3O2 — CID 63625792

IUPAC4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide
SMILESCC1CCCN(CCOc2ccc(C(=O)NN)cc2)CC1
InChIInChI=1S/C16H25N3O2/c1-13-3-2-9-19(10-8-13)11-12-21-15-6-4-14(5-7-15)16(20)18-17/h4-7,13H,2-3,8-12,17H2,1H3,(H,18,20)
InChIKeyXFKMFQWMMCFOEU-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.79
Rot. Bonds5

About 4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide

4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide (PubChem CID 63625792) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide.

Molecular Properties

Compound Name4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide
PubChem CID63625792
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide
SMILESCC1CCCN(CCOc2ccc(C(=O)NN)cc2)CC1
InChIInChI=1S/C16H25N3O2/c1-13-3-2-9-19(10-8-13)11-12-21-15-6-4-14(5-7-15)16(20)18-17/h4-7,13H,2-3,8-12,17H2,1H3,(H,18,20)
InChIKeyXFKMFQWMMCFOEU-UHFFFAOYSA-N
XLogP1.79
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63569886
3-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63624650
4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
CID 63575751
4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide
CID 18526260
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100691827
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
3-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]prop-2-enoic acid
CID 78971549
2-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63622429
1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7067763

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide?
The IUPAC name of 4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide (CID 63625792) is 4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide.
What is the SMILES notation for 4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide?
The canonical SMILES for 4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide is CC1CCCN(CCOc2ccc(C(=O)NN)cc2)CC1.
What is the InChIKey of 4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide?
The InChIKey is XFKMFQWMMCFOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-3-2-9-19(10-8-13)11-12-21-15-6-4-14(5-7-15)16(20)18-17/h4-7,13H,2-3,8-12,17H2,1H3,(H,18,20).
What are the key properties of 4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide?
4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide has a molecular weight of 291.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide is sourced from PubChem (CID 63625792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).