butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate

C139H161N7O23 — CID 158314269

IUPACbutan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(O)CNc1ccc2c(c1)C(=O)c1ccccc1C2=O.CCC(C)(C)C(=O)OCC(O)COC(=O)c1c[nH]c2ccccc12.CCC(C)(C)C(=O)OCCNC(=O)OCCN1C(=O)c2ccccc2C1=O.CCC(C)(C)C(=O)OCCOCc1ccc2c(c1)C(=O)c1ccccc1C2=O.CCC(C)(C)C(=O)OCCc1c[nH]c2ccccc12.CCC(C)c1ccccc1.CCC(C)n1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H25NO5.C23H24O5.C19H24N2O6.C18H23NO5.C16H21NO2.C16H17N.C14H13N.C10H14/c1-4-23(2,3)22(28)29-13-15(25)12-24-14-9-10-18-19(11-14)21(27)17-8-6-5-7-16(17)20(18)26;1-4-23(2,3)22(26)28-12-11-27-14-15-9-10-18-19(13-15)21(25)17-8-6-5-7-16(17)20(18)24;1-4-19(2,3)17(24)26-11-9-20-18(25)27-12-10-21-15(22)13-7-5-6-8-14(13)16(21)23;1-4-18(2,3)17(22)24-11-12(20)10-23-16(21)14-9-19-15-8-6-5-7-13(14)15;1-4-16(2,3)15(18)19-10-9-12-11-17-14-8-6-5-7-13(12)14;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-9(2)10-7-5-4-6-8-10/h5-11,15,24-25H,4,12-13H2,1-3H3;5-10,13H,4,11-12,14H2,1-3H3;5-8H,4,9-12H2,1-3H3,(H,20,25);5-9,12,19-20H,4,10-11H2,1-3H3;5-8,11,17H,4,9-10H2,1-3H3;4-12H,3H2,1-2H3;3-10H,2H2,1H3;4-9H,3H2,1-2H3
InChIKeyGOBIPLGHDODLDX-UHFFFAOYSA-N
MW2297.84 g/mol
LogP27.30
Rot. Bonds39

About butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate

butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate (PubChem CID 158314269) has the molecular formula C139H161N7O23 and a molecular weight of 2297.84 g/mol. Its IUPAC name is butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Namebutan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate
PubChem CID158314269
Molecular FormulaC139H161N7O23
Molecular Weight2297.84 g/mol
Exact Mass2296.16
IUPAC Namebutan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(O)CNc1ccc2c(c1)C(=O)c1ccccc1C2=O.CCC(C)(C)C(=O)OCC(O)COC(=O)c1c[nH]c2ccccc12.CCC(C)(C)C(=O)OCCNC(=O)OCCN1C(=O)c2ccccc2C1=O.CCC(C)(C)C(=O)OCCOCc1ccc2c(c1)C(=O)c1ccccc1C2=O.CCC(C)(C)C(=O)OCCc1c[nH]c2ccccc12.CCC(C)c1ccccc1.CCC(C)n1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H25NO5.C23H24O5.C19H24N2O6.C18H23NO5.C16H21NO2.C16H17N.C14H13N.C10H14/c1-4-23(2,3)22(28)29-13-15(25)12-24-14-9-10-18-19(11-14)21(27)17-8-6-5-7-16(17)20(18)26;1-4-23(2,3)22(26)28-12-11-27-14-15-9-10-18-19(13-15)21(25)17-8-6-5-7-16(17)20(18)24;1-4-19(2,3)17(24)26-11-9-20-18(25)27-12-10-21-15(22)13-7-5-6-8-14(13)16(21)23;1-4-18(2,3)17(22)24-11-12(20)10-23-16(21)14-9-19-15-8-6-5-7-13(14)15;1-4-16(2,3)15(18)19-10-9-12-11-17-14-8-6-5-7-13(12)14;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-9(2)10-7-5-4-6-8-10/h5-11,15,24-25H,4,12-13H2,1-3H3;5-10,13H,4,11-12,14H2,1-3H3;5-8H,4,9-12H2,1-3H3,(H,20,25);5-9,12,19-20H,4,10-11H2,1-3H3;5-8,11,17H,4,9-10H2,1-3H3;4-12H,3H2,1-2H3;3-10H,2H2,1H3;4-9H,3H2,1-2H3
InChIKeyGOBIPLGHDODLDX-UHFFFAOYSA-N
XLogP27.30
TPSA404.95 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds39
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002297.84
LogP ≤ 527.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate with MolForge

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Related Compounds

butan-2-ylbenzene;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;10-ethylacridin-9-one
CID 158370966
butan-2-ylbenzene;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 3H-indene-1-carboxylate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;2-ethylisoindole-1,3-dione;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate;methane;4-[2-(4,5,6,7-tetrachloro-1,3-dioxoinden-2-yl)quinolin-8-yl]oxybutyl 2,2-dimethylbutanoate
CID 160738318
butan-2-ylbenzene;2-ethylbenzo[de]isoquinoline-1,3-dione;2-ethylhexyl 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate;2-methylbutanoic acid
CID 161473193
1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108873798
(2S)-2-[[5-(1,3-dioxoisoindol-2-yl)-2-sulfanylpentanoyl]amino]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-methylpentanamide
CID 54162603
2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906585
N-(9-ethylcarbazol-3-yl)-2-(1H-indol-3-yl)acetamide
CID 2466222
(1,3-dioxoisoindol-2-yl)methyl 1H-indole-3-carboxylate
CID 7517850
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 51973033
2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 29128923
2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide
CID 79805542
N-butan-2-yl-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 42653008

Frequently Asked Questions

What is the IUPAC name of butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate?
The IUPAC name of butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate (CID 158314269) is butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate.
What is the SMILES notation for butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate?
The canonical SMILES for butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC(O)CNc1ccc2c(c1)C(=O)c1ccccc1C2=O.CCC(C)(C)C(=O)OCC(O)COC(=O)c1c[nH]c2ccccc12.CCC(C)(C)C(=O)OCCNC(=O)OCCN1C(=O)c2ccccc2C1=O.CCC(C)(C)C(=O)OCCOCc1ccc2c(c1)C(=O)c1ccccc1C2=O.CCC(C)(C)C(=O)OCCc1c[nH]c2ccccc12.CCC(C)c1ccccc1.CCC(C)n1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21.
What is the InChIKey of butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate?
The InChIKey is GOBIPLGHDODLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5.C23H24O5.C19H24N2O6.C18H23NO5.C16H21NO2.C16H17N.C14H13N.C10H14/c1-4-23(2,3)22(28)29-13-15(25)12-24-14-9-10-18-19(11-14)21(27)17-8-6-5-7-16(17)20(18)26;1-4-23(2,3)22(26)28-12-11-27-14-15-9-10-18-19(13-15)21(25)17-8-6-5-7-16(17)20(18)24;1-4-19(2,3)17(24)26-11-9-20-18(25)27-12-10-21-15(22)13-7-5-6-8-14(13)16(21)23;1-4-18(2,3)17(22)24-11-12(20)10-23-16(21)14-9-19-15-8-6-5-7-13(14)15;1-4-16(2,3)15(18)19-10-9-12-11-17-14-8-6-5-7-13(12)14;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-9(2)10-7-5-4-6-8-10/h5-11,15,24-25H,4,12-13H2,1-3H3;5-10,13H,4,11-12,14H2,1-3H3;5-8H,4,9-12H2,1-3H3,(H,20,25);5-9,12,19-20H,4,10-11H2,1-3H3;5-8,11,17H,4,9-10H2,1-3H3;4-12H,3H2,1-2H3;3-10H,2H2,1H3;4-9H,3H2,1-2H3.
What are the key properties of butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate?
butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate has a molecular weight of 2297.84 g/mol, XLogP of 27.30, 39 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 158314269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).