N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide

C21H26N2O7 — CID 9343633

IUPACN'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide
SMILESCCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C21H26N2O7/c1-6-29-14-7-9-15(10-8-14)30-13(2)20(24)22-23-21(25)16-11-18(27-4)19(28-5)12-17(16)26-3/h7-13H,6H2,1-5H3,(H,22,24)(H,23,25)/t13-/m0/s1
InChIKeyMRNBJNGKXIFCMI-ZDUSSCGKSA-N
MW418.45 g/mol
LogP2.34
Rot. Bonds9

About N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide

N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide (PubChem CID 9343633) has the molecular formula C21H26N2O7 and a molecular weight of 418.45 g/mol. Its IUPAC name is N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide
PubChem CID9343633
Molecular FormulaC21H26N2O7
Molecular Weight418.45 g/mol
Exact Mass418.17
IUPAC NameN'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide
SMILESCCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C21H26N2O7/c1-6-29-14-7-9-15(10-8-14)30-13(2)20(24)22-23-21(25)16-11-18(27-4)19(28-5)12-17(16)26-3/h7-13H,6H2,1-5H3,(H,22,24)(H,23,25)/t13-/m0/s1
InChIKeyMRNBJNGKXIFCMI-ZDUSSCGKSA-N
XLogP2.34
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 9088677
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide
CID 42910218
5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9088683
2-(3,4-dimethoxyphenyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide
CID 24503094
methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]benzoate
CID 9343601
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 912703
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 55343921
N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 24554535
2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 26003921
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9343683

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide?
The IUPAC name of N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide (CID 9343633) is N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide?
The canonical SMILES for N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide is CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(OC)c(OC)cc2OC)cc1.
What is the InChIKey of N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide?
The InChIKey is MRNBJNGKXIFCMI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H26N2O7/c1-6-29-14-7-9-15(10-8-14)30-13(2)20(24)22-23-21(25)16-11-18(27-4)19(28-5)12-17(16)26-3/h7-13H,6H2,1-5H3,(H,22,24)(H,23,25)/t13-/m0/s1.
What are the key properties of N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide?
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide has a molecular weight of 418.45 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide is sourced from PubChem (CID 9343633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).