1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxy-4-[(Z)-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]methyl]phenoxy]ethanone

C26H37N3O4 — CID 99851215

IUPAC1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxy-4-[(Z)-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]methyl]phenoxy]ethanone
SMILESCOc1cc(/C=N\N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)ccc1OCC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C26H37N3O4/c1-17-14-29(15-18(2)33-17)24(30)16-32-21-8-7-19(11-22(21)31-6)13-27-28-23-12-20-9-10-26(23,5)25(20,3)4/h7-8,11,13,17-18,20H,9-10,12,14-16H2,1-6H3/b27-13-,28-23+/t17-,18+,20-,26-/m1/s1
InChIKeyNIBRQWLUQHXOSY-MEBMBJLASA-N
MW455.60 g/mol
LogP4.33
Rot. Bonds6

About 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxy-4-[(Z)-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]methyl]phenoxy]ethanone

1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxy-4-[(Z)-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]methyl]phenoxy]ethanone (PubChem CID 99851215) has the molecular formula C26H37N3O4 and a molecular weight of 455.60 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxy-4-[(Z)-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]methyl]phenoxy]ethanone.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxy-4-[(Z)-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]methyl]phenoxy]ethanone
PubChem CID99851215
Molecular FormulaC26H37N3O4
Molecular Weight455.60 g/mol
Exact Mass455.28
IUPAC Name1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxy-4-[(Z)-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]methyl]phenoxy]ethanone
SMILESCOc1cc(/C=N\N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)ccc1OCC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C26H37N3O4/c1-17-14-29(15-18(2)33-17)24(30)16-32-21-8-7-19(11-22(21)31-6)13-27-28-23-12-20-9-10-26(23,5)25(20,3)4/h7-8,11,13,17-18,20H,9-10,12,14-16H2,1-6H3/b27-13-,28-23+/t17-,18+,20-,26-/m1/s1
InChIKeyNIBRQWLUQHXOSY-MEBMBJLASA-N
XLogP4.33
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxy-4-[(Z)-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]methyl]phenoxy]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 26058180
2-[4-[(Z)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 32703213
(3Z)-5-bromo-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one
CID 127048604
2-[4-[(Z)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 9012679
2-methoxyethyl (4R)-4-[4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 26889499
N-[(Z)-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide
CID 92535737
2-(3,4-dimethoxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3373584
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7211081
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 16503173
2-(2-bromo-4-chlorophenoxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 2961166
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 8551244
(4R)-4-[4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]-N-(2,4-dimethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 99853244

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxy-4-[(Z)-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]methyl]phenoxy]ethanone?
The IUPAC name of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxy-4-[(Z)-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]methyl]phenoxy]ethanone (CID 99851215) is 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxy-4-[(Z)-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]methyl]phenoxy]ethanone.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxy-4-[(Z)-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]methyl]phenoxy]ethanone?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxy-4-[(Z)-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]methyl]phenoxy]ethanone is COc1cc(/C=N\N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)ccc1OCC(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxy-4-[(Z)-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]methyl]phenoxy]ethanone?
The InChIKey is NIBRQWLUQHXOSY-MEBMBJLASA-N. The full InChI is InChI=1S/C26H37N3O4/c1-17-14-29(15-18(2)33-17)24(30)16-32-21-8-7-19(11-22(21)31-6)13-27-28-23-12-20-9-10-26(23,5)25(20,3)4/h7-8,11,13,17-18,20H,9-10,12,14-16H2,1-6H3/b27-13-,28-23+/t17-,18+,20-,26-/m1/s1.
What are the key properties of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxy-4-[(Z)-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]methyl]phenoxy]ethanone?
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxy-4-[(Z)-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]methyl]phenoxy]ethanone has a molecular weight of 455.60 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxy-4-[(Z)-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]methyl]phenoxy]ethanone is sourced from PubChem (CID 99851215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).