3-[2-[2-(hydroxymethyl)morpholin-4-yl]ethoxy]benzohydrazide

C14H21N3O4 — CID 81214161

IUPAC3-[2-[2-(hydroxymethyl)morpholin-4-yl]ethoxy]benzohydrazide
SMILESNNC(=O)c1cccc(OCCN2CCOC(CO)C2)c1
InChIInChI=1S/C14H21N3O4/c15-16-14(19)11-2-1-3-12(8-11)20-6-4-17-5-7-21-13(9-17)10-18/h1-3,8,13,18H,4-7,9-10,15H2,(H,16,19)
InChIKeySCRBLXDJLSBKED-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.64
Rot. Bonds6

About 3-[2-[2-(hydroxymethyl)morpholin-4-yl]ethoxy]benzohydrazide

3-[2-[2-(hydroxymethyl)morpholin-4-yl]ethoxy]benzohydrazide (PubChem CID 81214161) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[2-[2-(hydroxymethyl)morpholin-4-yl]ethoxy]benzohydrazide.

Molecular Properties

Compound Name3-[2-[2-(hydroxymethyl)morpholin-4-yl]ethoxy]benzohydrazide
PubChem CID81214161
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name3-[2-[2-(hydroxymethyl)morpholin-4-yl]ethoxy]benzohydrazide
SMILESNNC(=O)c1cccc(OCCN2CCOC(CO)C2)c1
InChIInChI=1S/C14H21N3O4/c15-16-14(19)11-2-1-3-12(8-11)20-6-4-17-5-7-21-13(9-17)10-18/h1-3,8,13,18H,4-7,9-10,15H2,(H,16,19)
InChIKeySCRBLXDJLSBKED-UHFFFAOYSA-N
XLogP-0.64
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[3-(3-aminophenoxy)propyl]morpholin-2-yl]methanol
CID 81205796
[4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholin-2-yl]methanol
CID 81202906
[4-[3-[3-(aminomethyl)phenoxy]propyl]morpholin-2-yl]methanol
CID 81203703
3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide
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3-[2-(6-cyclobutyl-1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 136550798
3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide
CID 102608462
3-[2-(3-fluoropyrrolidin-1-yl)ethoxy]benzoic acid
CID 77441688
3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 79188544
3-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 63609414
3-[3-(2-ethylmorpholin-4-yl)propoxy]aniline
CID 43562250

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(hydroxymethyl)morpholin-4-yl]ethoxy]benzohydrazide?
The IUPAC name of 3-[2-[2-(hydroxymethyl)morpholin-4-yl]ethoxy]benzohydrazide (CID 81214161) is 3-[2-[2-(hydroxymethyl)morpholin-4-yl]ethoxy]benzohydrazide.
What is the SMILES notation for 3-[2-[2-(hydroxymethyl)morpholin-4-yl]ethoxy]benzohydrazide?
The canonical SMILES for 3-[2-[2-(hydroxymethyl)morpholin-4-yl]ethoxy]benzohydrazide is NNC(=O)c1cccc(OCCN2CCOC(CO)C2)c1.
What is the InChIKey of 3-[2-[2-(hydroxymethyl)morpholin-4-yl]ethoxy]benzohydrazide?
The InChIKey is SCRBLXDJLSBKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c15-16-14(19)11-2-1-3-12(8-11)20-6-4-17-5-7-21-13(9-17)10-18/h1-3,8,13,18H,4-7,9-10,15H2,(H,16,19).
What are the key properties of 3-[2-[2-(hydroxymethyl)morpholin-4-yl]ethoxy]benzohydrazide?
3-[2-[2-(hydroxymethyl)morpholin-4-yl]ethoxy]benzohydrazide has a molecular weight of 295.34 g/mol, XLogP of -0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(hydroxymethyl)morpholin-4-yl]ethoxy]benzohydrazide is sourced from PubChem (CID 81214161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).