4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide

C12H19N3O2 — CID 63572832

IUPAC4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide
SMILESCCN(CCO)Cc1ccc(C(=O)NN)cc1
InChIInChI=1S/C12H19N3O2/c1-2-15(7-8-16)9-10-3-5-11(6-4-10)12(17)14-13/h3-6,16H,2,7-9,13H2,1H3,(H,14,17)
InChIKeyNYUFLAAQJGJPMT-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.10
Rot. Bonds6

About 4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide

4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide (PubChem CID 63572832) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide
PubChem CID63572832
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide
SMILESCCN(CCO)Cc1ccc(C(=O)NN)cc1
InChIInChI=1S/C12H19N3O2/c1-2-15(7-8-16)9-10-3-5-11(6-4-10)12(17)14-13/h3-6,16H,2,7-9,13H2,1H3,(H,14,17)
InChIKeyNYUFLAAQJGJPMT-UHFFFAOYSA-N
XLogP0.10
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.10
H-Bond Donors ≤ 53
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

2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol
CID 62021239
2-[ethyl-[[4-(hydrazinecarbonyl)phenyl]methyl]amino]-N-propan-2-ylacetamide
CID 63584771
4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide
CID 111110287
4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide
CID 63573634
4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide
CID 63583220
(2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]propanoic acid
CID 119369868
4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide
CID 110881712
3-(diethylaminomethyl)benzohydrazide
CID 63571195
4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 63573274
2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide
CID 105351648
4-(diethylaminomethyl)-N-phenylmethoxybenzamide
CID 38036519
4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide
CID 111487813

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide?
The IUPAC name of 4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide (CID 63572832) is 4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide?
The canonical SMILES for 4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide is CCN(CCO)Cc1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide?
The InChIKey is NYUFLAAQJGJPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-15(7-8-16)9-10-3-5-11(6-4-10)12(17)14-13/h3-6,16H,2,7-9,13H2,1H3,(H,14,17).
What are the key properties of 4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide?
4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide has a molecular weight of 237.30 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 63572832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).