1-(1-adamantyl)-3-(2,4-dihydroxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(2,6-dimethylphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-naphthalen-1-ylurea;1-(2,4-dihydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea

C79H84N10O19 — CID 173204479

IUPAC1-(1-adamantyl)-3-(2,4-dihydroxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(2,6-dimethylphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-naphthalen-1-ylurea;1-(2,4-dihydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(O)cc2O)cc(OC)c1OC.COc1cccc(NC(=O)Nc2ccc(O)cc2O)c1.Cc1cccc(C)c1NC(=O)Nc1ccc(O)cc1O.O=C(Nc1ccc(O)cc1O)NC12CC3CC(CC(C3)C1)C2.O=C(Nc1ccc(O)cc1O)Nc1cccc2ccccc12
InChIInChI=1S/C17H22N2O3.C17H14N2O3.C16H18N2O6.C15H16N2O3.C14H14N2O4/c20-13-1-2-14(15(21)6-13)18-16(22)19-17-7-10-3-11(8-17)5-12(4-10)9-17;20-12-8-9-15(16(21)10-12)19-17(22)18-14-7-3-5-11-4-1-2-6-13(11)14;1-22-13-6-9(7-14(23-2)15(13)24-3)17-16(21)18-11-5-4-10(19)8-12(11)20;1-9-4-3-5-10(2)14(9)17-15(20)16-12-7-6-11(18)8-13(12)19;1-20-11-4-2-3-9(7-11)15-14(19)16-12-6-5-10(17)8-13(12)18/h1-2,6,10-12,20-21H,3-5,7-9H2,(H2,18,19,22);1-10,20-21H,(H2,18,19,22);4-8,19-20H,1-3H3,(H2,17,18,21);3-8,18-19H,1-2H3,(H2,16,17,20);2-8,17-18H,1H3,(H2,15,16,19)
InChIKeyVQJLVQPUUHMUQU-UHFFFAOYSA-N
MW1477.59 g/mol
LogP15.96
Rot. Bonds14

About 1-(1-adamantyl)-3-(2,4-dihydroxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(2,6-dimethylphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-naphthalen-1-ylurea;1-(2,4-dihydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea

1-(1-adamantyl)-3-(2,4-dihydroxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(2,6-dimethylphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-naphthalen-1-ylurea;1-(2,4-dihydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 173204479) has the molecular formula C79H84N10O19 and a molecular weight of 1477.59 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(2,4-dihydroxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(2,6-dimethylphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-naphthalen-1-ylurea;1-(2,4-dihydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(2,4-dihydroxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(2,6-dimethylphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-naphthalen-1-ylurea;1-(2,4-dihydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID173204479
Molecular FormulaC79H84N10O19
Molecular Weight1477.59 g/mol
Exact Mass1476.59
IUPAC Name1-(1-adamantyl)-3-(2,4-dihydroxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(2,6-dimethylphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-naphthalen-1-ylurea;1-(2,4-dihydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(O)cc2O)cc(OC)c1OC.COc1cccc(NC(=O)Nc2ccc(O)cc2O)c1.Cc1cccc(C)c1NC(=O)Nc1ccc(O)cc1O.O=C(Nc1ccc(O)cc1O)NC12CC3CC(CC(C3)C1)C2.O=C(Nc1ccc(O)cc1O)Nc1cccc2ccccc12
InChIInChI=1S/C17H22N2O3.C17H14N2O3.C16H18N2O6.C15H16N2O3.C14H14N2O4/c20-13-1-2-14(15(21)6-13)18-16(22)19-17-7-10-3-11(8-17)5-12(4-10)9-17;20-12-8-9-15(16(21)10-12)19-17(22)18-14-7-3-5-11-4-1-2-6-13(11)14;1-22-13-6-9(7-14(23-2)15(13)24-3)17-16(21)18-11-5-4-10(19)8-12(11)20;1-9-4-3-5-10(2)14(9)17-15(20)16-12-7-6-11(18)8-13(12)19;1-20-11-4-2-3-9(7-11)15-14(19)16-12-6-5-10(17)8-13(12)18/h1-2,6,10-12,20-21H,3-5,7-9H2,(H2,18,19,22);1-10,20-21H,(H2,18,19,22);4-8,19-20H,1-3H3,(H2,17,18,21);3-8,18-19H,1-2H3,(H2,16,17,20);2-8,17-18H,1H3,(H2,15,16,19)
InChIKeyVQJLVQPUUHMUQU-UHFFFAOYSA-N
XLogP15.96
TPSA444.87 Ų
H-Bond Donors20
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001477.59
LogP ≤ 515.96
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1-(1-adamantyl)-3-(2,4-dihydroxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(2,6-dimethylphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-naphthalen-1-ylurea;1-(2,4-dihydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(2,4-dihydroxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(2,6-dimethylphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-naphthalen-1-ylurea;1-(2,4-dihydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(2,4-dihydroxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(2,6-dimethylphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-naphthalen-1-ylurea;1-(2,4-dihydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea (CID 173204479) is 1-(1-adamantyl)-3-(2,4-dihydroxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(2,6-dimethylphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-naphthalen-1-ylurea;1-(2,4-dihydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(2,4-dihydroxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(2,6-dimethylphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-naphthalen-1-ylurea;1-(2,4-dihydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(2,4-dihydroxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(2,6-dimethylphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-naphthalen-1-ylurea;1-(2,4-dihydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)Nc2ccc(O)cc2O)cc(OC)c1OC.COc1cccc(NC(=O)Nc2ccc(O)cc2O)c1.Cc1cccc(C)c1NC(=O)Nc1ccc(O)cc1O.O=C(Nc1ccc(O)cc1O)NC12CC3CC(CC(C3)C1)C2.O=C(Nc1ccc(O)cc1O)Nc1cccc2ccccc12.
What is the InChIKey of 1-(1-adamantyl)-3-(2,4-dihydroxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(2,6-dimethylphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-naphthalen-1-ylurea;1-(2,4-dihydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is VQJLVQPUUHMUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3.C17H14N2O3.C16H18N2O6.C15H16N2O3.C14H14N2O4/c20-13-1-2-14(15(21)6-13)18-16(22)19-17-7-10-3-11(8-17)5-12(4-10)9-17;20-12-8-9-15(16(21)10-12)19-17(22)18-14-7-3-5-11-4-1-2-6-13(11)14;1-22-13-6-9(7-14(23-2)15(13)24-3)17-16(21)18-11-5-4-10(19)8-12(11)20;1-9-4-3-5-10(2)14(9)17-15(20)16-12-7-6-11(18)8-13(12)19;1-20-11-4-2-3-9(7-11)15-14(19)16-12-6-5-10(17)8-13(12)18/h1-2,6,10-12,20-21H,3-5,7-9H2,(H2,18,19,22);1-10,20-21H,(H2,18,19,22);4-8,19-20H,1-3H3,(H2,17,18,21);3-8,18-19H,1-2H3,(H2,16,17,20);2-8,17-18H,1H3,(H2,15,16,19).
What are the key properties of 1-(1-adamantyl)-3-(2,4-dihydroxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(2,6-dimethylphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-naphthalen-1-ylurea;1-(2,4-dihydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
1-(1-adamantyl)-3-(2,4-dihydroxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(2,6-dimethylphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-naphthalen-1-ylurea;1-(2,4-dihydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 1477.59 g/mol, XLogP of 15.96, 14 rotatable bonds, 20 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(2,4-dihydroxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(2,6-dimethylphenyl)urea;1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea;1-(2,4-dihydroxyphenyl)-3-naphthalen-1-ylurea;1-(2,4-dihydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 173204479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).