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

C82H92N10O5 — CID 158133072

IUPAC1-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
SMILESCC(=O)N(C)c1ccc2c(ccn2Cc2ccc(C(C)C)cc2)c1.CCCc1ccc(Cn2ccc3cc(NC(C)=O)ccc32)cc1.CNC(=O)Nc1ccc2c(ccn2Cc2ccc(C(C)C)cc2)c1.CNC(=O)Nc1ccc2c(ccn2Cc2ccc(C3CCOC3)cc2)c1
InChIInChI=1S/C21H23N3O2.C21H24N2O.C20H23N3O.C20H22N2O/c1-22-21(25)23-19-6-7-20-17(12-19)8-10-24(20)13-15-2-4-16(5-3-15)18-9-11-26-14-18;1-15(2)18-7-5-17(6-8-18)14-23-12-11-19-13-20(9-10-21(19)23)22(4)16(3)24;1-14(2)16-6-4-15(5-7-16)13-23-11-10-17-12-18(8-9-19(17)23)22-20(24)21-3;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/h2-8,10,12,18H,9,11,13-14H2,1H3,(H2,22,23,25);5-13,15H,14H2,1-4H3;4-12,14H,13H2,1-3H3,(H2,21,22,24);5-13H,3-4,14H2,1-2H3,(H,21,23)
InChIKeyFTABPWIEWSJXFM-UHFFFAOYSA-N
MW1297.70 g/mol
LogP17.91
Rot. Bonds17

About 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

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 (PubChem CID 158133072) has the molecular formula C82H92N10O5 and a molecular weight of 1297.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158133072
Molecular FormulaC82H92N10O5
Molecular Weight1297.70 g/mol
Exact Mass1296.73
IUPAC Name1-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
SMILESCC(=O)N(C)c1ccc2c(ccn2Cc2ccc(C(C)C)cc2)c1.CCCc1ccc(Cn2ccc3cc(NC(C)=O)ccc32)cc1.CNC(=O)Nc1ccc2c(ccn2Cc2ccc(C(C)C)cc2)c1.CNC(=O)Nc1ccc2c(ccn2Cc2ccc(C3CCOC3)cc2)c1
InChIInChI=1S/C21H23N3O2.C21H24N2O.C20H23N3O.C20H22N2O/c1-22-21(25)23-19-6-7-20-17(12-19)8-10-24(20)13-15-2-4-16(5-3-15)18-9-11-26-14-18;1-15(2)18-7-5-17(6-8-18)14-23-12-11-19-13-20(9-10-21(19)23)22(4)16(3)24;1-14(2)16-6-4-15(5-7-16)13-23-11-10-17-12-18(8-9-19(17)23)22-20(24)21-3;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/h2-8,10,12,18H,9,11,13-14H2,1H3,(H2,22,23,25);5-13,15H,14H2,1-4H3;4-12,14H,13H2,1-3H3,(H2,21,22,24);5-13H,3-4,14H2,1-2H3,(H,21,23)
InChIKeyFTABPWIEWSJXFM-UHFFFAOYSA-N
XLogP17.91
TPSA160.62 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001297.70
LogP ≤ 517.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 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 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
N-(3,4-difluorophenyl)-5-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide;5-[4-(4-ethylcyclohexyl)phenyl]-N-(4-fluorophenyl)-2,3-dihydroindole-1-carboxamide;5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide;bis(5-[4-(4-ethylcyclohexyl)phenyl]-N-phenylindole-1-carboxamide);5-[4-(4-ethylcyclohexyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 159548272
1-Methyl-3-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]urea
CID 71811897
N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide
CID 71812161
1-butan-2-yloxy-3-[3-(1-butyl-3,4-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenylurea;1-butoxy-3-[3-(1-methyl-3,4-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenylurea
CID 157053477
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
N-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;N-[2-[cyclopentyl(methyl)amino]ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide;2-[6-(4-methylphenyl)indol-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 157927455
5-(3-benzylpyrrolidin-3-yl)-N,N-dimethylindole-1-carboxamide;5-(1,3-dibenzylpyrrolidin-3-yl)-N,N-dimethylindole-1-carboxamide
CID 158360738

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N(C)c1ccc2c(ccn2Cc2ccc(C(C)C)cc2)c1.CCCc1ccc(Cn2ccc3cc(NC(C)=O)ccc32)cc1.CNC(=O)Nc1ccc2c(ccn2Cc2ccc(C(C)C)cc2)c1.CNC(=O)Nc1ccc2c(ccn2Cc2ccc(C3CCOC3)cc2)c1.
What is the InChIKey of 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?
The InChIKey is FTABPWIEWSJXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2.C21H24N2O.C20H23N3O.C20H22N2O/c1-22-21(25)23-19-6-7-20-17(12-19)8-10-24(20)13-15-2-4-16(5-3-15)18-9-11-26-14-18;1-15(2)18-7-5-17(6-8-18)14-23-12-11-19-13-20(9-10-21(19)23)22(4)16(3)24;1-14(2)16-6-4-15(5-7-16)13-23-11-10-17-12-18(8-9-19(17)23)22-20(24)21-3;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/h2-8,10,12,18H,9,11,13-14H2,1H3,(H2,22,23,25);5-13,15H,14H2,1-4H3;4-12,14H,13H2,1-3H3,(H2,21,22,24);5-13H,3-4,14H2,1-2H3,(H,21,23).
What are the key properties of 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?
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 has a molecular weight of 1297.70 g/mol, XLogP of 17.91, 17 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158133072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).