3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

C111H108N16O13 — CID 160613622

IUPAC3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESCCNC(=O)c1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCn1c(-c2cccc(C(=O)NCCN3CCOCC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(C(N)=O)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)Oc3ccccc3)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H28N4O3.C25H21N3O3.C21H21N3O3.C21H21N3O2.C19H17N3O2/c1-3-29-23-16-20(31-2)7-8-21(23)22(17-26)24(29)18-5-4-6-19(15-18)25(30)27-9-10-28-11-13-32-14-12-28;1-3-28-23-15-20(30-2)12-13-21(23)22(16-26)24(28)17-8-7-9-18(14-17)27-25(29)31-19-10-5-4-6-11-19;1-4-24-19-12-16(26-3)9-10-17(19)18(13-22)20(24)14-7-6-8-15(11-14)23-21(25)27-5-2;1-4-23-21(25)15-8-6-7-14(11-15)20-18(13-22)17-10-9-16(26-3)12-19(17)24(20)5-2;1-3-22-17-10-14(24-2)7-8-15(17)16(11-20)18(22)12-5-4-6-13(9-12)19(21)23/h4-8,15-16H,3,9-14H2,1-2H3,(H,27,30);4-15H,3H2,1-2H3,(H,27,29);6-12H,4-5H2,1-3H3,(H,23,25);6-12H,4-5H2,1-3H3,(H,23,25);4-10H,3H2,1-2H3,(H2,21,23)
InChIKeyRFUKZUJGEUXANY-UHFFFAOYSA-N
MW1874.18 g/mol
LogP21.13
Rot. Bonds26

About 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 160613622) has the molecular formula C111H108N16O13 and a molecular weight of 1874.18 g/mol. Its IUPAC name is 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
PubChem CID160613622
Molecular FormulaC111H108N16O13
Molecular Weight1874.18 g/mol
Exact Mass1872.83
IUPAC Name3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESCCNC(=O)c1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCn1c(-c2cccc(C(=O)NCCN3CCOCC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(C(N)=O)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)Oc3ccccc3)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H28N4O3.C25H21N3O3.C21H21N3O3.C21H21N3O2.C19H17N3O2/c1-3-29-23-16-20(31-2)7-8-21(23)22(17-26)24(29)18-5-4-6-19(15-18)25(30)27-9-10-28-11-13-32-14-12-28;1-3-28-23-15-20(30-2)12-13-21(23)22(16-26)24(28)17-8-7-9-18(14-17)27-25(29)31-19-10-5-4-6-11-19;1-4-24-19-12-16(26-3)9-10-17(19)18(13-22)20(24)14-7-6-8-15(11-14)23-21(25)27-5-2;1-4-23-21(25)15-8-6-7-14(11-15)20-18(13-22)17-10-9-16(26-3)12-19(17)24(20)5-2;1-3-22-17-10-14(24-2)7-8-15(17)16(11-20)18(22)12-5-4-6-13(9-12)19(21)23/h4-8,15-16H,3,9-14H2,1-2H3,(H,27,30);4-15H,3H2,1-2H3,(H,27,29);6-12H,4-5H2,1-3H3,(H,23,25);6-12H,4-5H2,1-3H3,(H,23,25);4-10H,3H2,1-2H3,(H2,21,23)
InChIKeyRFUKZUJGEUXANY-UHFFFAOYSA-N
XLogP21.13
TPSA380.17 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001874.18
LogP ≤ 521.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate with MolForge

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Related Compounds

benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;2-chloro-N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
CID 159539658
benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamoyl chloride;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
CID 159574592
N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]-2-methoxyacetamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-[2-(methylamino)ethyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethenesulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide
CID 159929705
N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]-2-methoxyacetamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-[2-(methylamino)ethyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethenesulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide
CID 160356602
2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile
CID 160632447
methyl 6-[6-[6-[6-[[(2E)-1-(4-methoxyphenyl)-2-methyl-1-phenylpenta-2,4-dienyl]amino]hexanoyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 22890085
methyl 6-[6-[6-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 22890116
2-[6-(1,3-Benzoxazol-2-yl)-9-[6-[3-(1,3-benzoxazol-2-yl)-6-(2,3-dihydro-1,3-benzoxazol-2-yl)carbazol-9-yl]-9-ethylcarbazol-3-yl]carbazol-3-yl]-1,3-benzoxazole
CID 57591918
3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 58694163
3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 58694201
[9-[6-[6-[4-[1-[4-[6-[6-[3-[6-[4-[4-cyano-5-(dicyanomethylidene)-1-hexyl-2-oxopyrrol-3-yl]-N-(2-ethylhexyl)anilino]hexanoyloxymethyl]carbazol-9-yl]hexoxy]-6-oxohexoxy]phenyl]-1-[4-[6-[6-[3-[6-[N-(2-ethylhexyl)-4-[(2E)-3,5,5-tricyano-4-(hexylamino)-1-oxopenta-2,4-dien-2-yl]anilino]hexanoyloxymethyl]carbazol-9-yl]hexoxy]-6-oxohexoxy]phenyl]ethyl]phenoxy]hexanoyloxy]hexyl]-4,4a-dihydrocarbazol-3-yl]methyl 6-[4-[4-cyano-5-(dicyanomethylidene)-1-hexyl-2-oxopyrrol-3-yl]-N-(2-ethylhexyl)anilino]hexanoate
CID 88965369
methyl 6-[6-[6-[6-[[1-(4-methoxyphenyl)-2-methyl-1-phenylpenta-2,4-dienyl]amino]hexanoyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 91351801

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 160613622) is 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is CCNC(=O)c1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCn1c(-c2cccc(C(=O)NCCN3CCOCC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(C(N)=O)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)Oc3ccccc3)c2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The InChIKey is RFUKZUJGEUXANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3.C25H21N3O3.C21H21N3O3.C21H21N3O2.C19H17N3O2/c1-3-29-23-16-20(31-2)7-8-21(23)22(17-26)24(29)18-5-4-6-19(15-18)25(30)27-9-10-28-11-13-32-14-12-28;1-3-28-23-15-20(30-2)12-13-21(23)22(16-26)24(28)17-8-7-9-18(14-17)27-25(29)31-19-10-5-4-6-11-19;1-4-24-19-12-16(26-3)9-10-17(19)18(13-22)20(24)14-7-6-8-15(11-14)23-21(25)27-5-2;1-4-23-21(25)15-8-6-7-14(11-15)20-18(13-22)17-10-9-16(26-3)12-19(17)24(20)5-2;1-3-22-17-10-14(24-2)7-8-15(17)16(11-20)18(22)12-5-4-6-13(9-12)19(21)23/h4-8,15-16H,3,9-14H2,1-2H3,(H,27,30);4-15H,3H2,1-2H3,(H,27,29);6-12H,4-5H2,1-3H3,(H,23,25);6-12H,4-5H2,1-3H3,(H,23,25);4-10H,3H2,1-2H3,(H2,21,23).
What are the key properties of 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 1874.18 g/mol, XLogP of 21.13, 26 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 160613622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).