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

C23H27N3O7 — CID 25163897

IUPAC3-methoxy-N'-[2-(4-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)COc2ccc(C)cc2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C23H27N3O7/c1-16-3-6-18(7-4-16)32-14-21(27)24-25-23(29)17-5-8-19(20(13-17)30-2)33-15-22(28)26-9-11-31-12-10-26/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyGBNGJLDGDPVRBJ-UHFFFAOYSA-N
MW457.48 g/mol
LogP1.08
Rot. Bonds8

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

3-methoxy-N'-[2-(4-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide (PubChem CID 25163897) has the molecular formula C23H27N3O7 and a molecular weight of 457.48 g/mol. Its IUPAC name is 3-methoxy-N'-[2-(4-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-[2-(4-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide
PubChem CID25163897
Molecular FormulaC23H27N3O7
Molecular Weight457.48 g/mol
Exact Mass457.18
IUPAC Name3-methoxy-N'-[2-(4-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)COc2ccc(C)cc2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C23H27N3O7/c1-16-3-6-18(7-4-16)32-14-21(27)24-25-23(29)17-5-8-19(20(13-17)30-2)33-15-22(28)26-9-11-31-12-10-26/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyGBNGJLDGDPVRBJ-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

3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 3368075
2-[2-methoxy-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]phenoxy]-1-morpholin-4-ylethanone
CID 25162377
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834
2-[2-methoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 9059552
2-(4-chlorophenoxy)-N-[(Z)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 51641793
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-phenylphenyl)benzamide
CID 4876101
3-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 16579252
2-(4-tert-butylphenoxy)-N-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 42992097
4-iodo-3-methoxy-N-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
CID 126025224

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-[2-(4-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide?
The IUPAC name of 3-methoxy-N'-[2-(4-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide (CID 25163897) is 3-methoxy-N'-[2-(4-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide.
What is the SMILES notation for 3-methoxy-N'-[2-(4-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide?
The canonical SMILES for 3-methoxy-N'-[2-(4-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide is COc1cc(C(=O)NNC(=O)COc2ccc(C)cc2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 3-methoxy-N'-[2-(4-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide?
The InChIKey is GBNGJLDGDPVRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O7/c1-16-3-6-18(7-4-16)32-14-21(27)24-25-23(29)17-5-8-19(20(13-17)30-2)33-15-22(28)26-9-11-31-12-10-26/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of 3-methoxy-N'-[2-(4-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide?
3-methoxy-N'-[2-(4-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-(4-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide is sourced from PubChem (CID 25163897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).