[2-[4-(4-hydroxy-5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-morpholin-4-ylmethanone

C26H36N2O4 — CID 163896083

IUPAC[2-[4-(4-hydroxy-5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-morpholin-4-ylmethanone
SMILESCOC1=C(O)C=CC(C)(CCC(C)(C)N2Cc3cccc(C(=O)N4CCOCC4)c3C2)C1
InChIInChI=1S/C26H36N2O4/c1-25(2,10-11-26(3)9-8-22(29)23(16-26)31-4)28-17-19-6-5-7-20(21(19)18-28)24(30)27-12-14-32-15-13-27/h5-9,29H,10-18H2,1-4H3
InChIKeyQFSMQTGSGGWNMP-UHFFFAOYSA-N
MW440.58 g/mol
LogP4.42
Rot. Bonds6

About [2-[4-(4-hydroxy-5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-morpholin-4-ylmethanone

[2-[4-(4-hydroxy-5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-morpholin-4-ylmethanone (PubChem CID 163896083) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is [2-[4-(4-hydroxy-5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[4-(4-hydroxy-5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-morpholin-4-ylmethanone
PubChem CID163896083
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name[2-[4-(4-hydroxy-5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-morpholin-4-ylmethanone
SMILESCOC1=C(O)C=CC(C)(CCC(C)(C)N2Cc3cccc(C(=O)N4CCOCC4)c3C2)C1
InChIInChI=1S/C26H36N2O4/c1-25(2,10-11-26(3)9-8-22(29)23(16-26)31-4)28-17-19-6-5-7-20(21(19)18-28)24(30)27-12-14-32-15-13-27/h5-9,29H,10-18H2,1-4H3
InChIKeyQFSMQTGSGGWNMP-UHFFFAOYSA-N
XLogP4.42
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[4-(4-hydroxy-5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[2-[4-(3,4-dihydroxyphenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-morpholin-4-ylmethanone
CID 123980132
[2-[4-(4-hydroxy-3-methoxyphenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-piperazin-1-ylmethanone;methane
CID 162193579
phenyl 4-[2-[4-(3-methoxy-4-methylphenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole-4-carbonyl]piperazine-1-carboxylate
CID 171588776
2-amino-1-[4-(2-tert-butyl-1,3-dihydroisoindole-4-carbonyl)piperazin-1-yl]ethanone
CID 155138829
[3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone
CID 147198706
2-[4-(4-hydroxy-3-methoxyphenyl)-2-methylbutan-2-yl]-N-(2-methoxyethyl)-1,3-dihydroisoindole-4-carboxamide
CID 118283024
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996
[2-[4-(4-hydroxy-3-methoxyphenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-morpholin-4-ylmethanone;[2-(hydroxymethyl)-4-[3-methyl-3-[4-(1-piperazin-1-ylethenyl)-1,3-dihydroisoindol-2-yl]butyl]phenyl]methanol;2-[4-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-methylbutan-2-yl]-5-methylsulfonyl-1,3-dihydroisoindole;4-[3-methyl-3-(5-methylsulfonyl-1,3-dihydroisoindol-2-yl)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol;[4-[3-methyl-3-(5-methylsulfonyl-1,3-dihydroisoindol-2-yl)butyl]-2-[(2-methylpropan-2-yl)oxy]phenyl] acetate;[3-[3-methyl-3-[4-(1-piperazin-1-ylethenyl)-1,3-dihydroisoindol-2-yl]butyl]phenyl]methanol;[4-[3-methyl-3-[4-(1-piperazin-1-ylethenyl)-1,3-dihydroisoindol-2-yl]butyl]phenyl]methanol
CID 161346224
2-[4-[4-hydroxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-2-methylbutan-2-yl]-N,N-dimethyl-1,3-dihydroisoindole-4-carboxamide
CID 118282980
(2,3-diaminophenyl)-morpholin-4-ylmethanone
CID 54188281
(2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 131909764

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-hydroxy-5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[4-(4-hydroxy-5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-morpholin-4-ylmethanone (CID 163896083) is [2-[4-(4-hydroxy-5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[4-(4-hydroxy-5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[4-(4-hydroxy-5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-morpholin-4-ylmethanone is COC1=C(O)C=CC(C)(CCC(C)(C)N2Cc3cccc(C(=O)N4CCOCC4)c3C2)C1.
What is the InChIKey of [2-[4-(4-hydroxy-5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is QFSMQTGSGGWNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-25(2,10-11-26(3)9-8-22(29)23(16-26)31-4)28-17-19-6-5-7-20(21(19)18-28)24(30)27-12-14-32-15-13-27/h5-9,29H,10-18H2,1-4H3.
What are the key properties of [2-[4-(4-hydroxy-5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-morpholin-4-ylmethanone?
[2-[4-(4-hydroxy-5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 440.58 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-hydroxy-5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 163896083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).