(3S)-3-(furan-2-yl)-3-phenylpropanehydrazide

C13H14N2O2 — CID 42535403

IUPAC(3S)-3-(furan-2-yl)-3-phenylpropanehydrazide
SMILESNNC(=O)C[C@@H](c1ccccc1)c1ccco1
InChIInChI=1S/C13H14N2O2/c14-15-13(16)9-11(12-7-4-8-17-12)10-5-2-1-3-6-10/h1-8,11H,9,14H2,(H,15,16)/t11-/m0/s1
InChIKeyCRKHHOVJZLGLFN-NSHDSACASA-N
MW230.27 g/mol
LogP1.79
Rot. Bonds4

About (3S)-3-(furan-2-yl)-3-phenylpropanehydrazide

(3S)-3-(furan-2-yl)-3-phenylpropanehydrazide (PubChem CID 42535403) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (3S)-3-(furan-2-yl)-3-phenylpropanehydrazide.

Molecular Properties

Compound Name(3S)-3-(furan-2-yl)-3-phenylpropanehydrazide
PubChem CID42535403
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(3S)-3-(furan-2-yl)-3-phenylpropanehydrazide
SMILESNNC(=O)C[C@@H](c1ccccc1)c1ccco1
InChIInChI=1S/C13H14N2O2/c14-15-13(16)9-11(12-7-4-8-17-12)10-5-2-1-3-6-10/h1-8,11H,9,14H2,(H,15,16)/t11-/m0/s1
InChIKeyCRKHHOVJZLGLFN-NSHDSACASA-N
XLogP1.79
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.79
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-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 4221665
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide
CID 137214432
(3R)-3-(furan-2-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 948351
3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide
CID 91776883
3-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide
CID 91768167
(3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 95119513
[furan-2-yl(phenyl)methyl]urea
CID 14906081
(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate
CID 6935403
(3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid
CID 2235057
3-[[furan-2-yl(phenyl)methyl]amino]butanamide
CID 115573315
(2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid
CID 3088964

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(furan-2-yl)-3-phenylpropanehydrazide?
The IUPAC name of (3S)-3-(furan-2-yl)-3-phenylpropanehydrazide (CID 42535403) is (3S)-3-(furan-2-yl)-3-phenylpropanehydrazide.
What is the SMILES notation for (3S)-3-(furan-2-yl)-3-phenylpropanehydrazide?
The canonical SMILES for (3S)-3-(furan-2-yl)-3-phenylpropanehydrazide is NNC(=O)C[C@@H](c1ccccc1)c1ccco1.
What is the InChIKey of (3S)-3-(furan-2-yl)-3-phenylpropanehydrazide?
The InChIKey is CRKHHOVJZLGLFN-NSHDSACASA-N. The full InChI is InChI=1S/C13H14N2O2/c14-15-13(16)9-11(12-7-4-8-17-12)10-5-2-1-3-6-10/h1-8,11H,9,14H2,(H,15,16)/t11-/m0/s1.
What are the key properties of (3S)-3-(furan-2-yl)-3-phenylpropanehydrazide?
(3S)-3-(furan-2-yl)-3-phenylpropanehydrazide has a molecular weight of 230.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(furan-2-yl)-3-phenylpropanehydrazide is sourced from PubChem (CID 42535403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).