3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-6-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-6-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide

C159H194N16O12 — CID 162007291

IUPAC3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-6-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-6-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc3[nH]c(CO)cc3c2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3[nH]c(CO)cc3c2)cn1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(ccn3CCO)c2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(ccn3CCO)c2)cn1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3ccn(CCO)c3c2)cc1.CCCn1ccc2cc(NC(=O)CCc3ccc(C(C)(C)C)cc3)ccc21.CCCn1ccc2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc21
InChIInChI=1S/2C24H30N2O.2C23H28N2O2.C22H27N3O2.C22H26N2O2.C21H25N3O2/c1-5-15-26-16-14-19-9-12-21(17-22(19)26)25-23(27)13-8-18-6-10-20(11-7-18)24(2,3)4;1-5-15-26-16-14-19-17-21(11-12-22(19)26)25-23(27)13-8-18-6-9-20(10-7-18)24(2,3)4;1-23(2,3)19-8-4-17(5-9-19)6-11-22(27)24-20-10-7-18-12-13-25(14-15-26)21(18)16-20;1-23(2,3)19-7-4-17(5-8-19)6-11-22(27)24-20-9-10-21-18(16-20)12-13-25(21)14-15-26;1-22(2,3)20-8-4-16(15-23-20)5-9-21(27)24-18-6-7-19-17(14-18)10-11-25(19)12-13-26;1-22(2,3)17-7-4-15(5-8-17)6-11-21(26)24-18-9-10-20-16(12-18)13-19(14-25)23-20;1-21(2,3)19-8-4-14(12-22-19)5-9-20(26)24-16-6-7-18-15(10-16)11-17(13-25)23-18/h2*6-7,9-12,14,16-17H,5,8,13,15H2,1-4H3,(H,25,27);2*4-5,7-10,12-13,16,26H,6,11,14-15H2,1-3H3,(H,24,27);4,6-8,10-11,14-15,26H,5,9,12-13H2,1-3H3,(H,24,27);4-5,7-10,12-13,23,25H,6,11,14H2,1-3H3,(H,24,26);4,6-8,10-12,23,25H,5,9,13H2,1-3H3,(H,24,26)
InChIKeyYSZQZDYPSVQBCR-UHFFFAOYSA-N
MW2521.40 g/mol
LogP33.20
Rot. Bonds40

About 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-6-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-6-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide

3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-6-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-6-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide (PubChem CID 162007291) has the molecular formula C159H194N16O12 and a molecular weight of 2521.40 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-6-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-6-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-6-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-6-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide
PubChem CID162007291
Molecular FormulaC159H194N16O12
Molecular Weight2521.40 g/mol
Exact Mass2519.51
IUPAC Name3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-6-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-6-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc3[nH]c(CO)cc3c2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3[nH]c(CO)cc3c2)cn1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(ccn3CCO)c2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(ccn3CCO)c2)cn1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3ccn(CCO)c3c2)cc1.CCCn1ccc2cc(NC(=O)CCc3ccc(C(C)(C)C)cc3)ccc21.CCCn1ccc2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc21
InChIInChI=1S/2C24H30N2O.2C23H28N2O2.C22H27N3O2.C22H26N2O2.C21H25N3O2/c1-5-15-26-16-14-19-9-12-21(17-22(19)26)25-23(27)13-8-18-6-10-20(11-7-18)24(2,3)4;1-5-15-26-16-14-19-17-21(11-12-22(19)26)25-23(27)13-8-18-6-9-20(10-7-18)24(2,3)4;1-23(2,3)19-8-4-17(5-9-19)6-11-22(27)24-20-10-7-18-12-13-25(14-15-26)21(18)16-20;1-23(2,3)19-7-4-17(5-8-19)6-11-22(27)24-20-9-10-21-18(16-20)12-13-25(21)14-15-26;1-22(2,3)20-8-4-16(15-23-20)5-9-21(27)24-18-6-7-19-17(14-18)10-11-25(19)12-13-26;1-22(2,3)17-7-4-15(5-8-17)6-11-21(26)24-18-9-10-20-16(12-18)13-19(14-25)23-20;1-21(2,3)19-8-4-14(12-22-19)5-9-20(26)24-16-6-7-18-15(10-16)11-17(13-25)23-18/h2*6-7,9-12,14,16-17H,5,8,13,15H2,1-4H3,(H,25,27);2*4-5,7-10,12-13,16,26H,6,11,14-15H2,1-3H3,(H,24,27);4,6-8,10-11,14-15,26H,5,9,12-13H2,1-3H3,(H,24,27);4-5,7-10,12-13,23,25H,6,11,14H2,1-3H3,(H,24,26);4,6-8,10-12,23,25H,5,9,13H2,1-3H3,(H,24,26)
InChIKeyYSZQZDYPSVQBCR-UHFFFAOYSA-N
XLogP33.20
TPSA386.86 Ų
H-Bond Donors14
H-Bond Acceptors19
Rotatable Bonds40
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002521.40
LogP ≤ 533.20
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1019

Analyze 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-6-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-6-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-6-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-6-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-6-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-6-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide (CID 162007291) is 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-6-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-6-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-6-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-6-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-6-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-6-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide is CC(C)(C)c1ccc(CCC(=O)Nc2ccc3[nH]c(CO)cc3c2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3[nH]c(CO)cc3c2)cn1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(ccn3CCO)c2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(ccn3CCO)c2)cn1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3ccn(CCO)c3c2)cc1.CCCn1ccc2cc(NC(=O)CCc3ccc(C(C)(C)C)cc3)ccc21.CCCn1ccc2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc21.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-6-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-6-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide?
The InChIKey is YSZQZDYPSVQBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H30N2O.2C23H28N2O2.C22H27N3O2.C22H26N2O2.C21H25N3O2/c1-5-15-26-16-14-19-9-12-21(17-22(19)26)25-23(27)13-8-18-6-10-20(11-7-18)24(2,3)4;1-5-15-26-16-14-19-17-21(11-12-22(19)26)25-23(27)13-8-18-6-9-20(10-7-18)24(2,3)4;1-23(2,3)19-8-4-17(5-9-19)6-11-22(27)24-20-10-7-18-12-13-25(14-15-26)21(18)16-20;1-23(2,3)19-7-4-17(5-8-19)6-11-22(27)24-20-9-10-21-18(16-20)12-13-25(21)14-15-26;1-22(2,3)20-8-4-16(15-23-20)5-9-21(27)24-18-6-7-19-17(14-18)10-11-25(19)12-13-26;1-22(2,3)17-7-4-15(5-8-17)6-11-21(26)24-18-9-10-20-16(12-18)13-19(14-25)23-20;1-21(2,3)19-8-4-14(12-22-19)5-9-20(26)24-16-6-7-18-15(10-16)11-17(13-25)23-18/h2*6-7,9-12,14,16-17H,5,8,13,15H2,1-4H3,(H,25,27);2*4-5,7-10,12-13,16,26H,6,11,14-15H2,1-3H3,(H,24,27);4,6-8,10-11,14-15,26H,5,9,12-13H2,1-3H3,(H,24,27);4-5,7-10,12-13,23,25H,6,11,14H2,1-3H3,(H,24,26);4,6-8,10-12,23,25H,5,9,13H2,1-3H3,(H,24,26).
What are the key properties of 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-6-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-6-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide?
3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-6-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-6-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide has a molecular weight of 2521.40 g/mol, XLogP of 33.20, 40 rotatable bonds, 14 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-6-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(1-propylindol-6-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide is sourced from PubChem (CID 162007291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).