methyl N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]carbamate;1-methyl-3-[1-[(4-propylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide

C103H113N11O7 — CID 159466876

IUPACmethyl N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]carbamate;1-methyl-3-[1-[(4-propylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide
SMILESCC(=O)Nc1ccc2c(ccn2Cc2ccc(C3CCOC3)cc2)c1.CCCc1ccc(Cn2ccc3cc(NC(=O)C4CC4)ccc32)cc1.CCCc1ccc(Cn2ccc3cc(NC(=O)NC)ccc32)cc1.CCCc1ccc(Cn2ccc3cc(NC(C)=O)ccc32)cc1.COC(=O)Nc1ccc2c(ccn2Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H24N2O.C21H22N2O2.C20H23N3O.C20H22N2O2.C20H22N2O/c1-2-3-16-4-6-17(7-5-16)15-24-13-12-19-14-20(10-11-21(19)24)23-22(25)18-8-9-18;1-15(24)22-20-6-7-21-18(12-20)8-10-23(21)13-16-2-4-17(5-3-16)19-9-11-25-14-19;1-3-4-15-5-7-16(8-6-15)14-23-12-11-17-13-18(9-10-19(17)23)22-20(24)21-2;1-14(2)16-6-4-15(5-7-16)13-22-11-10-17-12-18(8-9-19(17)22)21-20(23)24-3;1-3-4-16-5-7-17(8-6-16)14-22-12-11-18-13-19(21-15(2)23)9-10-20(18)22/h4-7,10-14,18H,2-3,8-9,15H2,1H3,(H,23,25);2-8,10,12,19H,9,11,13-14H2,1H3,(H,22,24);5-13H,3-4,14H2,1-2H3,(H2,21,22,24);4-12,14H,13H2,1-3H3,(H,21,23);5-13H,3-4,14H2,1-2H3,(H,21,23)
InChIKeyLVHJUXQUFGXEIR-UHFFFAOYSA-N
MW1617.11 g/mol
LogP23.13
Rot. Bonds24

About methyl N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]carbamate;1-methyl-3-[1-[(4-propylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide

methyl N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]carbamate;1-methyl-3-[1-[(4-propylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide (PubChem CID 159466876) has the molecular formula C103H113N11O7 and a molecular weight of 1617.11 g/mol. Its IUPAC name is methyl N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]carbamate;1-methyl-3-[1-[(4-propylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound Namemethyl N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]carbamate;1-methyl-3-[1-[(4-propylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide
PubChem CID159466876
Molecular FormulaC103H113N11O7
Molecular Weight1617.11 g/mol
Exact Mass1615.88
IUPAC Namemethyl N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]carbamate;1-methyl-3-[1-[(4-propylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide
SMILESCC(=O)Nc1ccc2c(ccn2Cc2ccc(C3CCOC3)cc2)c1.CCCc1ccc(Cn2ccc3cc(NC(=O)C4CC4)ccc32)cc1.CCCc1ccc(Cn2ccc3cc(NC(=O)NC)ccc32)cc1.CCCc1ccc(Cn2ccc3cc(NC(C)=O)ccc32)cc1.COC(=O)Nc1ccc2c(ccn2Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H24N2O.C21H22N2O2.C20H23N3O.C20H22N2O2.C20H22N2O/c1-2-3-16-4-6-17(7-5-16)15-24-13-12-19-14-20(10-11-21(19)24)23-22(25)18-8-9-18;1-15(24)22-20-6-7-21-18(12-20)8-10-23(21)13-16-2-4-17(5-3-16)19-9-11-25-14-19;1-3-4-15-5-7-16(8-6-15)14-23-12-11-17-13-18(9-10-19(17)23)22-20(24)21-2;1-14(2)16-6-4-15(5-7-16)13-22-11-10-17-12-18(8-9-19(17)22)21-20(23)24-3;1-3-4-16-5-7-17(8-6-16)14-22-12-11-18-13-19(21-15(2)23)9-10-20(18)22/h4-7,10-14,18H,2-3,8-9,15H2,1H3,(H,23,25);2-8,10,12,19H,9,11,13-14H2,1H3,(H,22,24);5-13H,3-4,14H2,1-2H3,(H2,21,22,24);4-12,14H,13H2,1-3H3,(H,21,23);5-13H,3-4,14H2,1-2H3,(H,21,23)
InChIKeyLVHJUXQUFGXEIR-UHFFFAOYSA-N
XLogP23.13
TPSA200.64 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001617.11
LogP ≤ 523.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze methyl N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]carbamate;1-methyl-3-[1-[(4-propylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;1-methyl-3-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]propanamide;N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide
CID 157227617
N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 159016114
tert-butyl N-[(2S)-2-benzyl-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidin-2-yl]carbamate
CID 168329689
[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]methyl 2-cyclohexylacetate;[3-[(Z)-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]methyl]indol-1-yl]methyl 2,2-dimethylpropanoate
CID 69581971
[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]methyl 2-cyclohexylacetate;[3-[[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]methyl]indol-1-yl]methyl 2,2-dimethylpropanoate
CID 69581974
tert-butyl N-[2-(6-tert-butyl-1H-indol-3-yl)ethyl]carbamate;6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-(2-ethoxyethyl)-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole
CID 157122427
1-benzyl-6-tert-butylindole;6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;1-(6-tert-butylindol-1-yl)ethanone;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone
CID 157257097
N-[2-[[3-(3-amino-2-methylphenyl)-5-isocyanoindol-1-yl]methyl]phenyl]formamide;3-(1-benzyl-5-isocyanoindol-3-yl)aniline;bis(3-[5-isocyano-1-[(3-methylphenyl)methyl]indol-3-yl]aniline);3-[5-isocyano-1-[(4-methylphenyl)methyl]indol-3-yl]aniline;3-[5-isocyano-1-(oxan-3-ylmethyl)indol-3-yl]aniline
CID 157261884
1-benzyl-6-tert-butylindole;6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;1-(6-tert-butylindol-1-yl)ethanone;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone
CID 157283546
1-methyl-3-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]urea;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide
CID 158133072
6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;1-(6-tert-butylindol-1-yl)ethanone;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone
CID 158795966
N-[1-[[4-(1-methoxyethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;1-methyl-3-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]urea;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]propanamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 159057068

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]carbamate;1-methyl-3-[1-[(4-propylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide?
The IUPAC name of methyl N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]carbamate;1-methyl-3-[1-[(4-propylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide (CID 159466876) is methyl N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]carbamate;1-methyl-3-[1-[(4-propylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for methyl N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]carbamate;1-methyl-3-[1-[(4-propylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for methyl N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]carbamate;1-methyl-3-[1-[(4-propylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide is CC(=O)Nc1ccc2c(ccn2Cc2ccc(C3CCOC3)cc2)c1.CCCc1ccc(Cn2ccc3cc(NC(=O)C4CC4)ccc32)cc1.CCCc1ccc(Cn2ccc3cc(NC(=O)NC)ccc32)cc1.CCCc1ccc(Cn2ccc3cc(NC(C)=O)ccc32)cc1.COC(=O)Nc1ccc2c(ccn2Cc2ccc(C(C)C)cc2)c1.
What is the InChIKey of methyl N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]carbamate;1-methyl-3-[1-[(4-propylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide?
The InChIKey is LVHJUXQUFGXEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O.C21H22N2O2.C20H23N3O.C20H22N2O2.C20H22N2O/c1-2-3-16-4-6-17(7-5-16)15-24-13-12-19-14-20(10-11-21(19)24)23-22(25)18-8-9-18;1-15(24)22-20-6-7-21-18(12-20)8-10-23(21)13-16-2-4-17(5-3-16)19-9-11-25-14-19;1-3-4-15-5-7-16(8-6-15)14-23-12-11-17-13-18(9-10-19(17)23)22-20(24)21-2;1-14(2)16-6-4-15(5-7-16)13-22-11-10-17-12-18(8-9-19(17)22)21-20(23)24-3;1-3-4-16-5-7-17(8-6-16)14-22-12-11-18-13-19(21-15(2)23)9-10-20(18)22/h4-7,10-14,18H,2-3,8-9,15H2,1H3,(H,23,25);2-8,10,12,19H,9,11,13-14H2,1H3,(H,22,24);5-13H,3-4,14H2,1-2H3,(H2,21,22,24);4-12,14H,13H2,1-3H3,(H,21,23);5-13H,3-4,14H2,1-2H3,(H,21,23).
What are the key properties of methyl N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]carbamate;1-methyl-3-[1-[(4-propylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide?
methyl N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]carbamate;1-methyl-3-[1-[(4-propylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide has a molecular weight of 1617.11 g/mol, XLogP of 23.13, 24 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]carbamate;1-methyl-3-[1-[(4-propylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 159466876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).