3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide

C14H21N3O — CID 64566245

IUPAC3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide
SMILESCCN(CC(C(=O)NN)c1ccccc1)C1CC1
InChIInChI=1S/C14H21N3O/c1-2-17(12-8-9-12)10-13(14(18)16-15)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10,15H2,1H3,(H,16,18)
InChIKeyGSEBSBUUAVONFK-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.24
Rot. Bonds6

About 3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide

3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide (PubChem CID 64566245) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide.

Molecular Properties

Compound Name3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide
PubChem CID64566245
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide
SMILESCCN(CC(C(=O)NN)c1ccccc1)C1CC1
InChIInChI=1S/C14H21N3O/c1-2-17(12-8-9-12)10-13(14(18)16-15)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10,15H2,1H3,(H,16,18)
InChIKeyGSEBSBUUAVONFK-UHFFFAOYSA-N
XLogP1.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid
CID 63067063
3-[ethyl(2-methylpropyl)amino]-2-phenylpropanehydrazide
CID 64565838
3-[methyl(2-methylbutyl)amino]-2-phenylpropanehydrazide
CID 64567890
N-cyclopropyl-2-[(3-hydrazinyl-3-oxo-2-phenylpropyl)-methylamino]acetamide
CID 64566681
3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanehydrazide
CID 64565017
2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 63572317
3-(4-methylpiperidin-1-yl)-2-phenylpropanehydrazide
CID 64566034
methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate
CID 64565043
3-[cyclopropyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62619676
2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide
CID 105351675
3-[methyl(oxolan-2-ylmethyl)amino]-2-phenylpropanehydrazide
CID 64566065
3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid
CID 64567098

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide?
The IUPAC name of 3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide (CID 64566245) is 3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide.
What is the SMILES notation for 3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide?
The canonical SMILES for 3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide is CCN(CC(C(=O)NN)c1ccccc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide?
The InChIKey is GSEBSBUUAVONFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-17(12-8-9-12)10-13(14(18)16-15)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10,15H2,1H3,(H,16,18).
What are the key properties of 3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide?
3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide has a molecular weight of 247.34 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide is sourced from PubChem (CID 64566245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).