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

C88H106N10O8 — CID 160757385

IUPAC3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-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
InChIInChI=1S/C23H28N2O2.C22H27N3O2.C22H26N2O2.C21H25N3O2/c1-23(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/h4-5,7-10,12-13,16,26H,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)
InChIKeyRXPNBKSFMUKBBL-UHFFFAOYSA-N
MW1431.88 g/mol
LogP16.85
Rot. Bonds22

About 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-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-[2-(hydroxymethyl)-1H-indol-5-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 160757385) has the molecular formula C88H106N10O8 and a molecular weight of 1431.88 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-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-[2-(hydroxymethyl)-1H-indol-5-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 CID160757385
Molecular FormulaC88H106N10O8
Molecular Weight1431.88 g/mol
Exact Mass1430.82
IUPAC Name3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-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
InChIInChI=1S/C23H28N2O2.C22H27N3O2.C22H26N2O2.C21H25N3O2/c1-23(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/h4-5,7-10,12-13,16,26H,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)
InChIKeyRXPNBKSFMUKBBL-UHFFFAOYSA-N
XLogP16.85
TPSA264.54 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001431.88
LogP ≤ 516.85
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Analyze 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-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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Related Compounds

1-[5,5-bis[2-[7-fluoro-3-(morpholin-4-ylmethyl)-1H-indol-6-yl]ethynyl]-6,6-bis(1H-indol-6-yl)cyclohexa-1,3-dien-1-yl]-2-hydroxy-2-phenylethanone
CID 122688796
N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide
CID 158255325
3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-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;N-[3-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide;N-[3-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 159539657
3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide
CID 57807972
[2-[2-(dihydroxymethyl)-3H-pyrrolo[3,2-e]indole-6-carbonyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indol-6-yl]-(1,2,3,6-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone
CID 91083302
1-[6,6-bis(1H-indol-6-yl)-5,5-bis[2-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]ethynyl]cyclohexa-1,3-dien-1-yl]-2-hydroxy-2-phenylethanone
CID 122688679
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-(2-methoxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-methoxyethyl)indol-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 157835610
N-[1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 158969784
3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-methoxyethyl)indol-5-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 159309157
4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]benzamide;N-[1-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1-hydroxycyclobutyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide
CID 159692592
[3-[[3-(3-amino-2-methylphenyl)-5-isocyanoindol-1-yl]methyl]-2-pyridinyl]methanol;3-[5-isocyano-1-[(4-methylphenyl)methyl]indol-3-yl]aniline;3-[5-isocyano-1-[(4-methylphenyl)methyl]indol-3-yl]-N-methylaniline;3-[5-isocyano-1-[(4-methylphenyl)methyl]indol-3-yl]-2-methylaniline;3-[5-isocyano-1-(pyridin-3-ylmethyl)indol-3-yl]aniline;3-[5-isocyano-1-(pyridin-3-ylmethyl)indol-3-yl]-2-methylaniline
CID 160192796
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

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-[2-(hydroxymethyl)-1H-indol-5-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-[2-(hydroxymethyl)-1H-indol-5-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 160757385) is 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-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-[2-(hydroxymethyl)-1H-indol-5-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-[2-(hydroxymethyl)-1H-indol-5-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.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-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 RXPNBKSFMUKBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2.C22H27N3O2.C22H26N2O2.C21H25N3O2/c1-23(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/h4-5,7-10,12-13,16,26H,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-[2-(hydroxymethyl)-1H-indol-5-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-[2-(hydroxymethyl)-1H-indol-5-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 1431.88 g/mol, XLogP of 16.85, 22 rotatable bonds, 10 hydrogen bond donors, and 12 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-[2-(hydroxymethyl)-1H-indol-5-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 160757385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).