ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine

C163H161N13O7 — CID 91150394

IUPACethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine
SMILESCCOC(=O)c1cc2cc(C(=O)N(C)CCNC(c3ccccc3)(c3ccccc3)c3ccccc3)ccc2[nH]1.CCOC(=O)c1cc2cc(C(C)=O)ccc2[nH]1.CN(CCN)C(c1ccccc1)(c1ccccc1)c1ccccc1.CN(CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1ccc2[nH]ccc2c1.CN(CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.CNCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H38N2.C34H33N3O3.C31H29N3O.2C22H24N2.C13H13NO3/c1-43(41(37-26-14-5-15-27-37,38-28-16-6-17-29-38)39-30-18-7-19-31-39)33-32-42-40(34-20-8-2-9-21-34,35-22-10-3-11-23-35)36-24-12-4-13-25-36;1-3-40-33(39)31-24-26-23-25(19-20-30(26)36-31)32(38)37(2)22-21-35-34(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29;1-34(30(35)25-17-18-29-24(23-25)19-20-32-29)22-21-33-31(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28;1-24(18-17-23)22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;1-23-17-18-24-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;1-3-17-13(16)12-7-10-6-9(8(2)15)4-5-11(10)14-12/h2-31,42H,32-33H2,1H3;4-20,23-24,35-36H,3,21-22H2,1-2H3;2-20,23,32-33H,21-22H2,1H3;2-16H,17-18,23H2,1H3;2-16,23-24H,17-18H2,1H3;4-7,14H,3H2,1-2H3
InChIKeyNIUKRJBRSYJFKN-UHFFFAOYSA-N
MW2414.16 g/mol
LogP30.52
Rot. Bonds45

About ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine

ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine (PubChem CID 91150394) has the molecular formula C163H161N13O7 and a molecular weight of 2414.16 g/mol. Its IUPAC name is ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine.

Molecular Properties

Compound Nameethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine
PubChem CID91150394
Molecular FormulaC163H161N13O7
Molecular Weight2414.16 g/mol
Exact Mass2412.26
IUPAC Nameethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine
SMILESCCOC(=O)c1cc2cc(C(=O)N(C)CCNC(c3ccccc3)(c3ccccc3)c3ccccc3)ccc2[nH]1.CCOC(=O)c1cc2cc(C(C)=O)ccc2[nH]1.CN(CCN)C(c1ccccc1)(c1ccccc1)c1ccccc1.CN(CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1ccc2[nH]ccc2c1.CN(CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.CNCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H38N2.C34H33N3O3.C31H29N3O.2C22H24N2.C13H13NO3/c1-43(41(37-26-14-5-15-27-37,38-28-16-6-17-29-38)39-30-18-7-19-31-39)33-32-42-40(34-20-8-2-9-21-34,35-22-10-3-11-23-35)36-24-12-4-13-25-36;1-3-40-33(39)31-24-26-23-25(19-20-30(26)36-31)32(38)37(2)22-21-35-34(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29;1-34(30(35)25-17-18-29-24(23-25)19-20-32-29)22-21-33-31(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28;1-24(18-17-23)22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;1-23-17-18-24-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;1-3-17-13(16)12-7-10-6-9(8(2)15)4-5-11(10)14-12/h2-31,42H,32-33H2,1H3;4-20,23-24,35-36H,3,21-22H2,1-2H3;2-20,23,32-33H,21-22H2,1H3;2-16H,17-18,23H2,1H3;2-16,23-24H,17-18H2,1H3;4-7,14H,3H2,1-2H3
InChIKeyNIUKRJBRSYJFKN-UHFFFAOYSA-N
XLogP30.52
TPSA250.31 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds45
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002414.16
LogP ≤ 530.52
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine with MolForge

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Related Compounds

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[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropyl] benzoate
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[(2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropyl] benzoate
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methyl (1R,12S)-10-(5-methoxycarbonyl-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
CID 46888109
methyl (1R,12S)-10-(5-acetyl-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
CID 46888153
methyl (1R,12S)-10-[5-(methylcarbamoyl)-1H-indole-2-carbonyl]-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
CID 46888156
methyl (1R,12S)-10-(5-methyl-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
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ethyl 5-{5-methyl-2-[(pyridin-4-ylmethyl)carbamoyl]pyridin-4-yl}-1H-indole-2-carboxylate
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US8785489, 4-{[({4-[2-(ethoxycarbonyl)-1H-indol-5-yl]pyridin-2-yl}carbonyl)amino]methyl}benzoic acid
CID 45376871

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine?
The IUPAC name of ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine (CID 91150394) is ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine.
What is the SMILES notation for ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine?
The canonical SMILES for ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine is CCOC(=O)c1cc2cc(C(=O)N(C)CCNC(c3ccccc3)(c3ccccc3)c3ccccc3)ccc2[nH]1.CCOC(=O)c1cc2cc(C(C)=O)ccc2[nH]1.CN(CCN)C(c1ccccc1)(c1ccccc1)c1ccccc1.CN(CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1ccc2[nH]ccc2c1.CN(CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.CNCCNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine?
The InChIKey is NIUKRJBRSYJFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N2.C34H33N3O3.C31H29N3O.2C22H24N2.C13H13NO3/c1-43(41(37-26-14-5-15-27-37,38-28-16-6-17-29-38)39-30-18-7-19-31-39)33-32-42-40(34-20-8-2-9-21-34,35-22-10-3-11-23-35)36-24-12-4-13-25-36;1-3-40-33(39)31-24-26-23-25(19-20-30(26)36-31)32(38)37(2)22-21-35-34(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29;1-34(30(35)25-17-18-29-24(23-25)19-20-32-29)22-21-33-31(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28;1-24(18-17-23)22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;1-23-17-18-24-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;1-3-17-13(16)12-7-10-6-9(8(2)15)4-5-11(10)14-12/h2-31,42H,32-33H2,1H3;4-20,23-24,35-36H,3,21-22H2,1-2H3;2-20,23,32-33H,21-22H2,1H3;2-16H,17-18,23H2,1H3;2-16,23-24H,17-18H2,1H3;4-7,14H,3H2,1-2H3.
What are the key properties of ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine?
ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine has a molecular weight of 2414.16 g/mol, XLogP of 30.52, 45 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine is sourced from PubChem (CID 91150394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).