N-[(1R)-3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide

C21H19N3O3 — CID 7032038

IUPACN-[(1R)-3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C\c1ccco1
InChIInChI=1S/C21H19N3O3/c25-20(24-22-15-18-12-7-13-27-18)14-19(16-8-3-1-4-9-16)23-21(26)17-10-5-2-6-11-17/h1-13,15,19H,14H2,(H,23,26)(H,24,25)/b22-15-/t19-/m1/s1
InChIKeyGKGAJUGXNJROTA-MLPWYGTASA-N
MW361.40 g/mol
LogP3.29
Rot. Bonds7

About N-[(1R)-3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide

N-[(1R)-3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 7032038) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[(1R)-3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
PubChem CID7032038
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[(1R)-3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C\c1ccco1
InChIInChI=1S/C21H19N3O3/c25-20(24-22-15-18-12-7-13-27-18)14-19(16-8-3-1-4-9-16)23-21(26)17-10-5-2-6-11-17/h1-13,15,19H,14H2,(H,23,26)(H,24,25)/b22-15-/t19-/m1/s1
InChIKeyGKGAJUGXNJROTA-MLPWYGTASA-N
XLogP3.29
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-3-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
CID 137127548
[4-[(Z)-[[(3S)-3-benzamido-3-phenylpropanoyl]hydrazinylidene]methyl]phenyl] acetate
CID 126006540
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-[(1S)-3-[(2Z)-2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
CID 126011325
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
2-anilino-N-(furan-2-ylmethylideneamino)acetamide
CID 3757182
N-[(1S)-3-[(2Z)-2-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
CID 137127342
N-[(1R)-3-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
CID 137120747
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide
CID 5416550

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1R)-3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide (CID 7032038) is N-[(1R)-3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1R)-3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1R)-3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide is O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C\c1ccco1.
What is the InChIKey of N-[(1R)-3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is GKGAJUGXNJROTA-MLPWYGTASA-N. The full InChI is InChI=1S/C21H19N3O3/c25-20(24-22-15-18-12-7-13-27-18)14-19(16-8-3-1-4-9-16)23-21(26)17-10-5-2-6-11-17/h1-13,15,19H,14H2,(H,23,26)(H,24,25)/b22-15-/t19-/m1/s1.
What are the key properties of N-[(1R)-3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide?
N-[(1R)-3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 361.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 7032038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).