3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide

C10H21N3O3 — CID 103229582

IUPAC3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide
SMILESCOCC(C(=O)NN)N1CCCOC(C)C1
InChIInChI=1S/C10H21N3O3/c1-8-6-13(4-3-5-16-8)9(7-15-2)10(14)12-11/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyXQSNDYMLJGNPKN-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.90
Rot. Bonds4

About 3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide

3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide (PubChem CID 103229582) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide.

Molecular Properties

Compound Name3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide
PubChem CID103229582
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide
SMILESCOCC(C(=O)NN)N1CCCOC(C)C1
InChIInChI=1S/C10H21N3O3/c1-8-6-13(4-3-5-16-8)9(7-15-2)10(14)12-11/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyXQSNDYMLJGNPKN-UHFFFAOYSA-N
XLogP-0.90
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.90
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide
CID 106589687
2-[3-(2-hydroxyethyl)piperidin-1-yl]-3-methoxypropanehydrazide
CID 107229100
3-methyl-2-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide
CID 63583173
methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate
CID 62972695
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methoxypropanehydrazide
CID 103229530
3-methoxy-2-(4-methylpiperidin-1-yl)propanehydrazide
CID 103229441
3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide
CID 103229742
2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide
CID 103229435
3-methoxy-2-piperazin-1-ylpropanehydrazide
CID 103229611
2-methyl-1,4-oxazepane-4-carbohydrazide
CID 62968526
3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide
CID 103229712
2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one
CID 64866930

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide?
The IUPAC name of 3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide (CID 103229582) is 3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide.
What is the SMILES notation for 3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide?
The canonical SMILES for 3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide is COCC(C(=O)NN)N1CCCOC(C)C1.
What is the InChIKey of 3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide?
The InChIKey is XQSNDYMLJGNPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-8-6-13(4-3-5-16-8)9(7-15-2)10(14)12-11/h8-9H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of 3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide?
3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide has a molecular weight of 231.30 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide is sourced from PubChem (CID 103229582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).