1-butyl-3-(4-methylphenyl)urea;1-cyclopentyl-3-(4-methylphenyl)urea;3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide;1-ethyl-3-(4-methylphenyl)urea;4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide;N-(4-methylphenyl)-1,2-oxazole-5-carboxamide;1-(4-methylphenyl)-3-propan-2-ylurea;1-(4-methylphenyl)-3-propylurea;6-methyl-1-propylsulfonyl-2,3-dihydroindole

C104H134N18O12S2 — CID 159980752

IUPAC1-butyl-3-(4-methylphenyl)urea;1-cyclopentyl-3-(4-methylphenyl)urea;3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide;1-ethyl-3-(4-methylphenyl)urea;4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide;N-(4-methylphenyl)-1,2-oxazole-5-carboxamide;1-(4-methylphenyl)-3-propan-2-ylurea;1-(4-methylphenyl)-3-propylurea;6-methyl-1-propylsulfonyl-2,3-dihydroindole
SMILESCCCCNC(=O)Nc1ccc(C)cc1.CCCNC(=O)Nc1ccc(C)cc1.CCCS(=O)(=O)N1CCc2ccc(C)cc21.CCNC(=O)Nc1ccc(C)cc1.Cc1ccc(NC(=O)NC(C)C)cc1.Cc1ccc(NC(=O)NC2CCCC2)cc1.Cc1ccc(NC(=O)c2c(C)noc2C)cc1.Cc1ccc(NC(=O)c2ccno2)cc1.Cc1ccc(NC(=O)c2snnc2C)cc1
InChIInChI=1S/C13H14N2O2.C13H18N2O.C12H18N2O.C12H17NO2S.C11H11N3OS.C11H10N2O2.2C11H16N2O.C10H14N2O/c1-8-4-6-11(7-5-8)14-13(16)12-9(2)15-17-10(12)3;1-10-6-8-12(9-7-10)15-13(16)14-11-4-2-3-5-11;1-3-4-9-13-12(15)14-11-7-5-10(2)6-8-11;1-3-8-16(14,15)13-7-6-11-5-4-10(2)9-12(11)13;1-7-3-5-9(6-4-7)12-11(15)10-8(2)13-14-16-10;1-8-2-4-9(5-3-8)13-11(14)10-6-7-12-15-10;1-8(2)12-11(14)13-10-6-4-9(3)5-7-10;1-3-8-12-11(14)13-10-6-4-9(2)5-7-10;1-3-11-10(13)12-9-6-4-8(2)5-7-9/h4-7H,1-3H3,(H,14,16);6-9,11H,2-5H2,1H3,(H2,14,15,16);5-8H,3-4,9H2,1-2H3,(H2,13,14,15);4-5,9H,3,6-8H2,1-2H3;3-6H,1-2H3,(H,12,15);2-7H,1H3,(H,13,14);4-8H,1-3H3,(H2,12,13,14);4-7H,3,8H2,1-2H3,(H2,12,13,14);4-7H,3H2,1-2H3,(H2,11,12,13)
InChIKeyOFSVMSLLPNQMMA-UHFFFAOYSA-N
MW1892.46 g/mol
LogP22.76
Rot. Bonds22

About 1-butyl-3-(4-methylphenyl)urea;1-cyclopentyl-3-(4-methylphenyl)urea;3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide;1-ethyl-3-(4-methylphenyl)urea;4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide;N-(4-methylphenyl)-1,2-oxazole-5-carboxamide;1-(4-methylphenyl)-3-propan-2-ylurea;1-(4-methylphenyl)-3-propylurea;6-methyl-1-propylsulfonyl-2,3-dihydroindole

1-butyl-3-(4-methylphenyl)urea;1-cyclopentyl-3-(4-methylphenyl)urea;3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide;1-ethyl-3-(4-methylphenyl)urea;4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide;N-(4-methylphenyl)-1,2-oxazole-5-carboxamide;1-(4-methylphenyl)-3-propan-2-ylurea;1-(4-methylphenyl)-3-propylurea;6-methyl-1-propylsulfonyl-2,3-dihydroindole (PubChem CID 159980752) has the molecular formula C104H134N18O12S2 and a molecular weight of 1892.46 g/mol. Its IUPAC name is 1-butyl-3-(4-methylphenyl)urea;1-cyclopentyl-3-(4-methylphenyl)urea;3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide;1-ethyl-3-(4-methylphenyl)urea;4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide;N-(4-methylphenyl)-1,2-oxazole-5-carboxamide;1-(4-methylphenyl)-3-propan-2-ylurea;1-(4-methylphenyl)-3-propylurea;6-methyl-1-propylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-butyl-3-(4-methylphenyl)urea;1-cyclopentyl-3-(4-methylphenyl)urea;3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide;1-ethyl-3-(4-methylphenyl)urea;4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide;N-(4-methylphenyl)-1,2-oxazole-5-carboxamide;1-(4-methylphenyl)-3-propan-2-ylurea;1-(4-methylphenyl)-3-propylurea;6-methyl-1-propylsulfonyl-2,3-dihydroindole
PubChem CID159980752
Molecular FormulaC104H134N18O12S2
Molecular Weight1892.46 g/mol
Exact Mass1890.99
IUPAC Name1-butyl-3-(4-methylphenyl)urea;1-cyclopentyl-3-(4-methylphenyl)urea;3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide;1-ethyl-3-(4-methylphenyl)urea;4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide;N-(4-methylphenyl)-1,2-oxazole-5-carboxamide;1-(4-methylphenyl)-3-propan-2-ylurea;1-(4-methylphenyl)-3-propylurea;6-methyl-1-propylsulfonyl-2,3-dihydroindole
SMILESCCCCNC(=O)Nc1ccc(C)cc1.CCCNC(=O)Nc1ccc(C)cc1.CCCS(=O)(=O)N1CCc2ccc(C)cc21.CCNC(=O)Nc1ccc(C)cc1.Cc1ccc(NC(=O)NC(C)C)cc1.Cc1ccc(NC(=O)NC2CCCC2)cc1.Cc1ccc(NC(=O)c2c(C)noc2C)cc1.Cc1ccc(NC(=O)c2ccno2)cc1.Cc1ccc(NC(=O)c2snnc2C)cc1
InChIInChI=1S/C13H14N2O2.C13H18N2O.C12H18N2O.C12H17NO2S.C11H11N3OS.C11H10N2O2.2C11H16N2O.C10H14N2O/c1-8-4-6-11(7-5-8)14-13(16)12-9(2)15-17-10(12)3;1-10-6-8-12(9-7-10)15-13(16)14-11-4-2-3-5-11;1-3-4-9-13-12(15)14-11-7-5-10(2)6-8-11;1-3-8-16(14,15)13-7-6-11-5-4-10(2)9-12(11)13;1-7-3-5-9(6-4-7)12-11(15)10-8(2)13-14-16-10;1-8-2-4-9(5-3-8)13-11(14)10-6-7-12-15-10;1-8(2)12-11(14)13-10-6-4-9(3)5-7-10;1-3-8-12-11(14)13-10-6-4-9(2)5-7-10;1-3-11-10(13)12-9-6-4-8(2)5-7-9/h4-7H,1-3H3,(H,14,16);6-9,11H,2-5H2,1H3,(H2,14,15,16);5-8H,3-4,9H2,1-2H3,(H2,13,14,15);4-5,9H,3,6-8H2,1-2H3;3-6H,1-2H3,(H,12,15);2-7H,1H3,(H,13,14);4-8H,1-3H3,(H2,12,13,14);4-7H,3,8H2,1-2H3,(H2,12,13,14);4-7H,3H2,1-2H3,(H2,11,12,13)
InChIKeyOFSVMSLLPNQMMA-UHFFFAOYSA-N
XLogP22.76
TPSA408.17 Ų
H-Bond Donors13
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001892.46
LogP ≤ 522.76
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 1-butyl-3-(4-methylphenyl)urea;1-cyclopentyl-3-(4-methylphenyl)urea;3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide;1-ethyl-3-(4-methylphenyl)urea;4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide;N-(4-methylphenyl)-1,2-oxazole-5-carboxamide;1-(4-methylphenyl)-3-propan-2-ylurea;1-(4-methylphenyl)-3-propylurea;6-methyl-1-propylsulfonyl-2,3-dihydroindole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(4-methylphenyl)urea;1-cyclopentyl-3-(4-methylphenyl)urea;3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide;1-ethyl-3-(4-methylphenyl)urea;4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide;N-(4-methylphenyl)-1,2-oxazole-5-carboxamide;1-(4-methylphenyl)-3-propan-2-ylurea;1-(4-methylphenyl)-3-propylurea;6-methyl-1-propylsulfonyl-2,3-dihydroindole?
The IUPAC name of 1-butyl-3-(4-methylphenyl)urea;1-cyclopentyl-3-(4-methylphenyl)urea;3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide;1-ethyl-3-(4-methylphenyl)urea;4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide;N-(4-methylphenyl)-1,2-oxazole-5-carboxamide;1-(4-methylphenyl)-3-propan-2-ylurea;1-(4-methylphenyl)-3-propylurea;6-methyl-1-propylsulfonyl-2,3-dihydroindole (CID 159980752) is 1-butyl-3-(4-methylphenyl)urea;1-cyclopentyl-3-(4-methylphenyl)urea;3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide;1-ethyl-3-(4-methylphenyl)urea;4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide;N-(4-methylphenyl)-1,2-oxazole-5-carboxamide;1-(4-methylphenyl)-3-propan-2-ylurea;1-(4-methylphenyl)-3-propylurea;6-methyl-1-propylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-butyl-3-(4-methylphenyl)urea;1-cyclopentyl-3-(4-methylphenyl)urea;3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide;1-ethyl-3-(4-methylphenyl)urea;4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide;N-(4-methylphenyl)-1,2-oxazole-5-carboxamide;1-(4-methylphenyl)-3-propan-2-ylurea;1-(4-methylphenyl)-3-propylurea;6-methyl-1-propylsulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-butyl-3-(4-methylphenyl)urea;1-cyclopentyl-3-(4-methylphenyl)urea;3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide;1-ethyl-3-(4-methylphenyl)urea;4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide;N-(4-methylphenyl)-1,2-oxazole-5-carboxamide;1-(4-methylphenyl)-3-propan-2-ylurea;1-(4-methylphenyl)-3-propylurea;6-methyl-1-propylsulfonyl-2,3-dihydroindole is CCCCNC(=O)Nc1ccc(C)cc1.CCCNC(=O)Nc1ccc(C)cc1.CCCS(=O)(=O)N1CCc2ccc(C)cc21.CCNC(=O)Nc1ccc(C)cc1.Cc1ccc(NC(=O)NC(C)C)cc1.Cc1ccc(NC(=O)NC2CCCC2)cc1.Cc1ccc(NC(=O)c2c(C)noc2C)cc1.Cc1ccc(NC(=O)c2ccno2)cc1.Cc1ccc(NC(=O)c2snnc2C)cc1.
What is the InChIKey of 1-butyl-3-(4-methylphenyl)urea;1-cyclopentyl-3-(4-methylphenyl)urea;3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide;1-ethyl-3-(4-methylphenyl)urea;4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide;N-(4-methylphenyl)-1,2-oxazole-5-carboxamide;1-(4-methylphenyl)-3-propan-2-ylurea;1-(4-methylphenyl)-3-propylurea;6-methyl-1-propylsulfonyl-2,3-dihydroindole?
The InChIKey is OFSVMSLLPNQMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2.C13H18N2O.C12H18N2O.C12H17NO2S.C11H11N3OS.C11H10N2O2.2C11H16N2O.C10H14N2O/c1-8-4-6-11(7-5-8)14-13(16)12-9(2)15-17-10(12)3;1-10-6-8-12(9-7-10)15-13(16)14-11-4-2-3-5-11;1-3-4-9-13-12(15)14-11-7-5-10(2)6-8-11;1-3-8-16(14,15)13-7-6-11-5-4-10(2)9-12(11)13;1-7-3-5-9(6-4-7)12-11(15)10-8(2)13-14-16-10;1-8-2-4-9(5-3-8)13-11(14)10-6-7-12-15-10;1-8(2)12-11(14)13-10-6-4-9(3)5-7-10;1-3-8-12-11(14)13-10-6-4-9(2)5-7-10;1-3-11-10(13)12-9-6-4-8(2)5-7-9/h4-7H,1-3H3,(H,14,16);6-9,11H,2-5H2,1H3,(H2,14,15,16);5-8H,3-4,9H2,1-2H3,(H2,13,14,15);4-5,9H,3,6-8H2,1-2H3;3-6H,1-2H3,(H,12,15);2-7H,1H3,(H,13,14);4-8H,1-3H3,(H2,12,13,14);4-7H,3,8H2,1-2H3,(H2,12,13,14);4-7H,3H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-butyl-3-(4-methylphenyl)urea;1-cyclopentyl-3-(4-methylphenyl)urea;3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide;1-ethyl-3-(4-methylphenyl)urea;4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide;N-(4-methylphenyl)-1,2-oxazole-5-carboxamide;1-(4-methylphenyl)-3-propan-2-ylurea;1-(4-methylphenyl)-3-propylurea;6-methyl-1-propylsulfonyl-2,3-dihydroindole?
1-butyl-3-(4-methylphenyl)urea;1-cyclopentyl-3-(4-methylphenyl)urea;3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide;1-ethyl-3-(4-methylphenyl)urea;4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide;N-(4-methylphenyl)-1,2-oxazole-5-carboxamide;1-(4-methylphenyl)-3-propan-2-ylurea;1-(4-methylphenyl)-3-propylurea;6-methyl-1-propylsulfonyl-2,3-dihydroindole has a molecular weight of 1892.46 g/mol, XLogP of 22.76, 22 rotatable bonds, 13 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(4-methylphenyl)urea;1-cyclopentyl-3-(4-methylphenyl)urea;3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide;1-ethyl-3-(4-methylphenyl)urea;4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide;N-(4-methylphenyl)-1,2-oxazole-5-carboxamide;1-(4-methylphenyl)-3-propan-2-ylurea;1-(4-methylphenyl)-3-propylurea;6-methyl-1-propylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 159980752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).