N-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide

C26H27N3O3 — CID 129439276

IUPACN-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide
SMILESCC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NN=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C26H27N3O3/c1-3-19(2)24(28-25(30)21-12-6-4-7-13-21)26(31)29-27-18-20-11-10-16-23(17-20)32-22-14-8-5-9-15-22/h4-19,24H,3H2,1-2H3,(H,28,30)(H,29,31)/t19-,24-/m1/s1
InChIKeyLHTDVZYQGDZNQS-NTKDMRAZSA-N
MW429.52 g/mol
LogP4.77
Rot. Bonds9

About N-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide

N-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide (PubChem CID 129439276) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide
PubChem CID129439276
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide
SMILESCC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NN=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C26H27N3O3/c1-3-19(2)24(28-25(30)21-12-6-4-7-13-21)26(31)29-27-18-20-11-10-16-23(17-20)32-22-14-8-5-9-15-22/h4-19,24H,3H2,1-2H3,(H,28,30)(H,29,31)/t19-,24-/m1/s1
InChIKeyLHTDVZYQGDZNQS-NTKDMRAZSA-N
XLogP4.77
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.77
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

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CID 129360194
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide
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CID 19172252
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CID 135479231
N-[(2S,3R)-1-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 137231638
2-[3-[[[2-[(3-chlorobenzoyl)amino]-3-methylbutanoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 3891491
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CID 6911430
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CID 4039313
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CID 94847748
N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
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N-[3-methyl-1-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide?
The IUPAC name of N-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide (CID 129439276) is N-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide.
What is the SMILES notation for N-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide?
The canonical SMILES for N-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide is CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NN=Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide?
The InChIKey is LHTDVZYQGDZNQS-NTKDMRAZSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-3-19(2)24(28-25(30)21-12-6-4-7-13-21)26(31)29-27-18-20-11-10-16-23(17-20)32-22-14-8-5-9-15-22/h4-19,24H,3H2,1-2H3,(H,28,30)(H,29,31)/t19-,24-/m1/s1.
What are the key properties of N-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide?
N-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide is sourced from PubChem (CID 129439276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).