3-methoxy-N'-[(2S)-2-methoxy-2-phenylacetyl]benzohydrazide

C17H18N2O4 — CID 40541391

IUPAC3-methoxy-N'-[(2S)-2-methoxy-2-phenylacetyl]benzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)[C@@H](OC)c2ccccc2)c1
InChIInChI=1S/C17H18N2O4/c1-22-14-10-6-9-13(11-14)16(20)18-19-17(21)15(23-2)12-7-4-3-5-8-12/h3-11,15H,1-2H3,(H,18,20)(H,19,21)/t15-/m0/s1
InChIKeyQOSVIJVRRPJIIF-HNNXBMFYSA-N
MW314.34 g/mol
LogP1.84
Rot. Bonds5

About 3-methoxy-N'-[(2S)-2-methoxy-2-phenylacetyl]benzohydrazide

3-methoxy-N'-[(2S)-2-methoxy-2-phenylacetyl]benzohydrazide (PubChem CID 40541391) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-methoxy-N'-[(2S)-2-methoxy-2-phenylacetyl]benzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-[(2S)-2-methoxy-2-phenylacetyl]benzohydrazide
PubChem CID40541391
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name3-methoxy-N'-[(2S)-2-methoxy-2-phenylacetyl]benzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)[C@@H](OC)c2ccccc2)c1
InChIInChI=1S/C17H18N2O4/c1-22-14-10-6-9-13(11-14)16(20)18-19-17(21)15(23-2)12-7-4-3-5-8-12/h3-11,15H,1-2H3,(H,18,20)(H,19,21)/t15-/m0/s1
InChIKeyQOSVIJVRRPJIIF-HNNXBMFYSA-N
XLogP1.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
CID 122195499
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CID 684303
N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517
3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 40542957
N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide
CID 2952126
N'-(2-cyanoacetyl)-3-methoxybenzohydrazide
CID 3117668
3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide
CID 78846238
N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride
CID 119703511
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
(2R,3R)-2-hydroxy-3-methoxy-1-(3-methoxyphenyl)-3-phenylpropan-1-one
CID 122377708
3-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7720061
3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820699

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-[(2S)-2-methoxy-2-phenylacetyl]benzohydrazide?
The IUPAC name of 3-methoxy-N'-[(2S)-2-methoxy-2-phenylacetyl]benzohydrazide (CID 40541391) is 3-methoxy-N'-[(2S)-2-methoxy-2-phenylacetyl]benzohydrazide.
What is the SMILES notation for 3-methoxy-N'-[(2S)-2-methoxy-2-phenylacetyl]benzohydrazide?
The canonical SMILES for 3-methoxy-N'-[(2S)-2-methoxy-2-phenylacetyl]benzohydrazide is COc1cccc(C(=O)NNC(=O)[C@@H](OC)c2ccccc2)c1.
What is the InChIKey of 3-methoxy-N'-[(2S)-2-methoxy-2-phenylacetyl]benzohydrazide?
The InChIKey is QOSVIJVRRPJIIF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-14-10-6-9-13(11-14)16(20)18-19-17(21)15(23-2)12-7-4-3-5-8-12/h3-11,15H,1-2H3,(H,18,20)(H,19,21)/t15-/m0/s1.
What are the key properties of 3-methoxy-N'-[(2S)-2-methoxy-2-phenylacetyl]benzohydrazide?
3-methoxy-N'-[(2S)-2-methoxy-2-phenylacetyl]benzohydrazide has a molecular weight of 314.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-[(2S)-2-methoxy-2-phenylacetyl]benzohydrazide is sourced from PubChem (CID 40541391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).