3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide

C14H21N3O2 — CID 102873726

IUPAC3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide
SMILESNNC(=O)c1cccc(CN(CCO)C2CCC2)c1
InChIInChI=1S/C14H21N3O2/c15-16-14(19)12-4-1-3-11(9-12)10-17(7-8-18)13-5-2-6-13/h1,3-4,9,13,18H,2,5-8,10,15H2,(H,16,19)
InChIKeyDRGYIRJDOGJOOF-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.64
Rot. Bonds6

About 3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide

3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide (PubChem CID 102873726) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide
PubChem CID102873726
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide
SMILESNNC(=O)c1cccc(CN(CCO)C2CCC2)c1
InChIInChI=1S/C14H21N3O2/c15-16-14(19)12-4-1-3-11(9-12)10-17(7-8-18)13-5-2-6-13/h1,3-4,9,13,18H,2,5-8,10,15H2,(H,16,19)
InChIKeyDRGYIRJDOGJOOF-UHFFFAOYSA-N
XLogP0.64
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.64
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

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3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide
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3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
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3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide
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6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbohydrazide
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N-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide
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3-[[2-carboxyethyl(cyclopropyl)amino]methyl]benzoic acid
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3-[[cyclobutyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylbenzamide
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2-[4-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide
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3-(cyclobutyloxymethyl)benzohydrazide
CID 63570894

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide?
The IUPAC name of 3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide (CID 102873726) is 3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide?
The canonical SMILES for 3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide is NNC(=O)c1cccc(CN(CCO)C2CCC2)c1.
What is the InChIKey of 3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide?
The InChIKey is DRGYIRJDOGJOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-16-14(19)12-4-1-3-11(9-12)10-17(7-8-18)13-5-2-6-13/h1,3-4,9,13,18H,2,5-8,10,15H2,(H,16,19).
What are the key properties of 3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide?
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide has a molecular weight of 263.34 g/mol, XLogP of 0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 102873726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).