4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide

C13H21N3O3 — CID 55214410

IUPAC4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide
SMILESCC(O)CN(C)CCOc1ccc(C(=O)NN)cc1
InChIInChI=1S/C13H21N3O3/c1-10(17)9-16(2)7-8-19-12-5-3-11(4-6-12)13(18)15-14/h3-6,10,17H,7-9,14H2,1-2H3,(H,15,18)
InChIKeyONWRFJHRKWCPOJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.02
Rot. Bonds7

About 4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide

4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide (PubChem CID 55214410) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide.

Molecular Properties

Compound Name4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide
PubChem CID55214410
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide
SMILESCC(O)CN(C)CCOc1ccc(C(=O)NN)cc1
InChIInChI=1S/C13H21N3O3/c1-10(17)9-16(2)7-8-19-12-5-3-11(4-6-12)13(18)15-14/h3-6,10,17H,7-9,14H2,1-2H3,(H,15,18)
InChIKeyONWRFJHRKWCPOJ-UHFFFAOYSA-N
XLogP-0.02
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
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

4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 62334447
4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]benzohydrazide
CID 55215002
4-[2-[ethyl(propyl)amino]ethoxy]benzohydrazide
CID 55213633
4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 107493128
3-[4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]phenyl]prop-2-enoic acid
CID 76940124
4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63579475
3-[2-(4-carbamothioylphenoxy)ethyl-methylamino]-N,2-dimethylpropanamide
CID 106915714
4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide
CID 63576109
4-pentoxybenzohydrazide
CID 2727702
methyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60681956
4-(2-butan-2-ylsulfanylethoxy)benzohydrazide
CID 63580821
4-[2-(4-iodophenoxy)ethoxy]benzohydrazide
CID 63576077

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide?
The IUPAC name of 4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide (CID 55214410) is 4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide.
What is the SMILES notation for 4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide?
The canonical SMILES for 4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide is CC(O)CN(C)CCOc1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide?
The InChIKey is ONWRFJHRKWCPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10(17)9-16(2)7-8-19-12-5-3-11(4-6-12)13(18)15-14/h3-6,10,17H,7-9,14H2,1-2H3,(H,15,18).
What are the key properties of 4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide?
4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide has a molecular weight of 267.33 g/mol, XLogP of -0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide is sourced from PubChem (CID 55214410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).