3-methoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide

C23H27N3O7 — CID 24978798

IUPAC3-methoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)COc2cccc(C)c2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C23H27N3O7/c1-16-4-3-5-18(12-16)32-14-21(27)24-25-23(29)17-6-7-19(20(13-17)30-2)33-15-22(28)26-8-10-31-11-9-26/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyXFCAKAIYMIXCLC-UHFFFAOYSA-N
MW457.48 g/mol
LogP1.08
Rot. Bonds8

About 3-methoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide

3-methoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide (PubChem CID 24978798) has the molecular formula C23H27N3O7 and a molecular weight of 457.48 g/mol. Its IUPAC name is 3-methoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide
PubChem CID24978798
Molecular FormulaC23H27N3O7
Molecular Weight457.48 g/mol
Exact Mass457.18
IUPAC Name3-methoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)COc2cccc(C)c2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C23H27N3O7/c1-16-4-3-5-18(12-16)32-14-21(27)24-25-23(29)17-6-7-19(20(13-17)30-2)33-15-22(28)26-8-10-31-11-9-26/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyXFCAKAIYMIXCLC-UHFFFAOYSA-N
XLogP1.08
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 51.08
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

Itopride
CID 3792
Itopride Hydrochloride
CID 129791
2-(4-acetyl-2-methoxyphenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 2536503
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 3404974
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 4788548
N-(2-ethoxyphenyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 4791241
2-(4-Bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone
CID 2877867
2-[2-(3,4-dimethoxybenzoyl)hydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 3422545
(4-Benzylpiperazin-1-yl)-(3,4-diethoxyphenyl)methanone
CID 1108340
3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 2183977
4-{(1S)-2-[(2R)-4-Benzoyl-2-methyl-piperazin-1-yl]-1-methyl-2-oxo-ethoxy}-3-methoxy-N-methyl-benzamide
CID 11719112
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-propoxybenzamide
CID 3135718

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide?
The IUPAC name of 3-methoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide (CID 24978798) is 3-methoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide.
What is the SMILES notation for 3-methoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide?
The canonical SMILES for 3-methoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide is COc1cc(C(=O)NNC(=O)COc2cccc(C)c2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 3-methoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide?
The InChIKey is XFCAKAIYMIXCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O7/c1-16-4-3-5-18(12-16)32-14-21(27)24-25-23(29)17-6-7-19(20(13-17)30-2)33-15-22(28)26-8-10-31-11-9-26/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of 3-methoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide?
3-methoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide has a molecular weight of 457.48 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide is sourced from PubChem (CID 24978798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).