aminomethanol;8-[[4-[difluoro-(hydroxyamino)methyl]phenyl]methyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]-6-oxoundecanamide;1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanone;formamide;hexan-2-amine;5-(3-methylcyclohexyl)oxypentan-2-one;propane;toluene

C73H115F2N7O10 — CID 176967413

IUPACaminomethanol;8-[[4-[difluoro-(hydroxyamino)methyl]phenyl]methyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]-6-oxoundecanamide;1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanone;formamide;hexan-2-amine;5-(3-methylcyclohexyl)oxypentan-2-one;propane;toluene
SMILESC=C1c2cccc(NC(=O)CCCCC(=O)CC(CCC)Cc3ccc(C(F)(F)NO)cc3)c2CN1C1CCC(=O)NC1=O.CC(=O)CCCOC1CCCC(C)C1.CCC.CCC1=CCC(C(C)=O)C=C1.CCCCC(C)N.Cc1ccccc1.NC=O.NCO
InChIInChI=1S/C33H40F2N4O5.C12H22O2.C10H14O.C7H8.C6H15N.C3H8.CH5NO.CH3NO/c1-3-7-23(18-22-12-14-24(15-13-22)33(34,35)38-44)19-25(40)8-4-5-11-30(41)36-28-10-6-9-26-21(2)39(20-27(26)28)29-16-17-31(42)37-32(29)43;1-10-5-3-7-12(9-10)14-8-4-6-11(2)13;1-3-9-4-6-10(7-5-9)8(2)11;1-7-5-3-2-4-6-7;1-3-4-5-6(2)7;1-3-2;2*2-1-3/h6,9-10,12-15,23,29,38,44H,2-5,7-8,11,16-20H2,1H3,(H,36,41)(H,37,42,43);10,12H,3-9H2,1-2H3;4-6,10H,3,7H2,1-2H3;2-6H,1H3;6H,3-5,7H2,1-2H3;3H2,1-2H3;3H,1-2H2;1H,(H2,2,3)
InChIKeyDDDVXEZJDURMLA-UHFFFAOYSA-N
MW1288.76 g/mol
LogP13.79
Rot. Bonds25

About aminomethanol;8-[[4-[difluoro-(hydroxyamino)methyl]phenyl]methyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]-6-oxoundecanamide;1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanone;formamide;hexan-2-amine;5-(3-methylcyclohexyl)oxypentan-2-one;propane;toluene

aminomethanol;8-[[4-[difluoro-(hydroxyamino)methyl]phenyl]methyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]-6-oxoundecanamide;1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanone;formamide;hexan-2-amine;5-(3-methylcyclohexyl)oxypentan-2-one;propane;toluene (PubChem CID 176967413) has the molecular formula C73H115F2N7O10 and a molecular weight of 1288.76 g/mol. Its IUPAC name is aminomethanol;8-[[4-[difluoro-(hydroxyamino)methyl]phenyl]methyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]-6-oxoundecanamide;1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanone;formamide;hexan-2-amine;5-(3-methylcyclohexyl)oxypentan-2-one;propane;toluene.

Molecular Properties

Compound Nameaminomethanol;8-[[4-[difluoro-(hydroxyamino)methyl]phenyl]methyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]-6-oxoundecanamide;1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanone;formamide;hexan-2-amine;5-(3-methylcyclohexyl)oxypentan-2-one;propane;toluene
PubChem CID176967413
Molecular FormulaC73H115F2N7O10
Molecular Weight1288.76 g/mol
Exact Mass1287.87
IUPAC Nameaminomethanol;8-[[4-[difluoro-(hydroxyamino)methyl]phenyl]methyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]-6-oxoundecanamide;1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanone;formamide;hexan-2-amine;5-(3-methylcyclohexyl)oxypentan-2-one;propane;toluene
SMILESC=C1c2cccc(NC(=O)CCCCC(=O)CC(CCC)Cc3ccc(C(F)(F)NO)cc3)c2CN1C1CCC(=O)NC1=O.CC(=O)CCCOC1CCCC(C)C1.CCC.CCC1=CCC(C(C)=O)C=C1.CCCCC(C)N.Cc1ccccc1.NC=O.NCO
InChIInChI=1S/C33H40F2N4O5.C12H22O2.C10H14O.C7H8.C6H15N.C3H8.CH5NO.CH3NO/c1-3-7-23(18-22-12-14-24(15-13-22)33(34,35)38-44)19-25(40)8-4-5-11-30(41)36-28-10-6-9-26-21(2)39(20-27(26)28)29-16-17-31(42)37-32(29)43;1-10-5-3-7-12(9-10)14-8-4-6-11(2)13;1-3-9-4-6-10(7-5-9)8(2)11;1-7-5-3-2-4-6-7;1-3-4-5-6(2)7;1-3-2;2*2-1-3/h6,9-10,12-15,23,29,38,44H,2-5,7-8,11,16-20H2,1H3,(H,36,41)(H,37,42,43);10,12H,3-9H2,1-2H3;4-6,10H,3,7H2,1-2H3;2-6H,1H3;6H,3-5,7H2,1-2H3;3H2,1-2H3;3H,1-2H2;1H,(H2,2,3)
InChIKeyDDDVXEZJDURMLA-UHFFFAOYSA-N
XLogP13.79
TPSA286.57 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001288.76
LogP ≤ 513.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze aminomethanol;8-[[4-[difluoro-(hydroxyamino)methyl]phenyl]methyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]-6-oxoundecanamide;1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanone;formamide;hexan-2-amine;5-(3-methylcyclohexyl)oxypentan-2-one;propane;toluene with MolForge

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Related Compounds

7-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]heptanamide;2,2,2-trifluoroacetic acid
CID 121439741
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide
CID 134164434
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide;2,2,2-trifluoroacetic acid
CID 175815332
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-hydroxyhexanamide
CID 155292313
N-butyl-4-ethylbenzamide;3-[[4-(1,1-difluoroethyl)phenyl]methyl]hexanoic acid;formamide;3-(3-methylcyclohexyl)-N-(2-oxopropyl)propanamide;methylcyclopropane;propane;propan-1-ol;toluene
CID 176967446
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]undec-10-enamide
CID 73293262
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-11-oxoundecanamide
CID 126719053
benzyl 8-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]piperazin-1-yl]octanoate
CID 175034529
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide;hydrochloride
CID 155292281
4-amino-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-4-oxobutyl]benzamide
CID 156882782
icosyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
CID 73294184
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[[(E)-(2-hydroxy-6-oxo-4-phenylcyclohexylidene)methyl]amino]propanamide
CID 146438362

Frequently Asked Questions

What is the IUPAC name of aminomethanol;8-[[4-[difluoro-(hydroxyamino)methyl]phenyl]methyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]-6-oxoundecanamide;1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanone;formamide;hexan-2-amine;5-(3-methylcyclohexyl)oxypentan-2-one;propane;toluene?
The IUPAC name of aminomethanol;8-[[4-[difluoro-(hydroxyamino)methyl]phenyl]methyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]-6-oxoundecanamide;1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanone;formamide;hexan-2-amine;5-(3-methylcyclohexyl)oxypentan-2-one;propane;toluene (CID 176967413) is aminomethanol;8-[[4-[difluoro-(hydroxyamino)methyl]phenyl]methyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]-6-oxoundecanamide;1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanone;formamide;hexan-2-amine;5-(3-methylcyclohexyl)oxypentan-2-one;propane;toluene.
What is the SMILES notation for aminomethanol;8-[[4-[difluoro-(hydroxyamino)methyl]phenyl]methyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]-6-oxoundecanamide;1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanone;formamide;hexan-2-amine;5-(3-methylcyclohexyl)oxypentan-2-one;propane;toluene?
The canonical SMILES for aminomethanol;8-[[4-[difluoro-(hydroxyamino)methyl]phenyl]methyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]-6-oxoundecanamide;1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanone;formamide;hexan-2-amine;5-(3-methylcyclohexyl)oxypentan-2-one;propane;toluene is C=C1c2cccc(NC(=O)CCCCC(=O)CC(CCC)Cc3ccc(C(F)(F)NO)cc3)c2CN1C1CCC(=O)NC1=O.CC(=O)CCCOC1CCCC(C)C1.CCC.CCC1=CCC(C(C)=O)C=C1.CCCCC(C)N.Cc1ccccc1.NC=O.NCO.
What is the InChIKey of aminomethanol;8-[[4-[difluoro-(hydroxyamino)methyl]phenyl]methyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]-6-oxoundecanamide;1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanone;formamide;hexan-2-amine;5-(3-methylcyclohexyl)oxypentan-2-one;propane;toluene?
The InChIKey is DDDVXEZJDURMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40F2N4O5.C12H22O2.C10H14O.C7H8.C6H15N.C3H8.CH5NO.CH3NO/c1-3-7-23(18-22-12-14-24(15-13-22)33(34,35)38-44)19-25(40)8-4-5-11-30(41)36-28-10-6-9-26-21(2)39(20-27(26)28)29-16-17-31(42)37-32(29)43;1-10-5-3-7-12(9-10)14-8-4-6-11(2)13;1-3-9-4-6-10(7-5-9)8(2)11;1-7-5-3-2-4-6-7;1-3-4-5-6(2)7;1-3-2;2*2-1-3/h6,9-10,12-15,23,29,38,44H,2-5,7-8,11,16-20H2,1H3,(H,36,41)(H,37,42,43);10,12H,3-9H2,1-2H3;4-6,10H,3,7H2,1-2H3;2-6H,1H3;6H,3-5,7H2,1-2H3;3H2,1-2H3;3H,1-2H2;1H,(H2,2,3).
What are the key properties of aminomethanol;8-[[4-[difluoro-(hydroxyamino)methyl]phenyl]methyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]-6-oxoundecanamide;1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanone;formamide;hexan-2-amine;5-(3-methylcyclohexyl)oxypentan-2-one;propane;toluene?
aminomethanol;8-[[4-[difluoro-(hydroxyamino)methyl]phenyl]methyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]-6-oxoundecanamide;1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanone;formamide;hexan-2-amine;5-(3-methylcyclohexyl)oxypentan-2-one;propane;toluene has a molecular weight of 1288.76 g/mol, XLogP of 13.79, 25 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethanol;8-[[4-[difluoro-(hydroxyamino)methyl]phenyl]methyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3H-isoindol-4-yl]-6-oxoundecanamide;1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanone;formamide;hexan-2-amine;5-(3-methylcyclohexyl)oxypentan-2-one;propane;toluene is sourced from PubChem (CID 176967413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).