N,2-dimethyl-4-phenylmethoxyaniline;3-(4-fluorophenyl)-1-(4-hydroxy-2-methylphenyl)-1-methylurea

C30H32FN3O3 — CID 160962591

IUPACN,2-dimethyl-4-phenylmethoxyaniline;3-(4-fluorophenyl)-1-(4-hydroxy-2-methylphenyl)-1-methylurea
SMILESCNc1ccc(OCc2ccccc2)cc1C.Cc1cc(O)ccc1N(C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2.C15H17NO/c1-10-9-13(19)7-8-14(10)18(2)15(20)17-12-5-3-11(16)4-6-12;1-12-10-14(8-9-15(12)16-2)17-11-13-6-4-3-5-7-13/h3-9,19H,1-2H3,(H,17,20);3-10,16H,11H2,1-2H3
InChIKeySXEUDLAVUPIPAX-UHFFFAOYSA-N
MW501.60 g/mol
LogP7.12
Rot. Bonds6

About N,2-dimethyl-4-phenylmethoxyaniline;3-(4-fluorophenyl)-1-(4-hydroxy-2-methylphenyl)-1-methylurea

N,2-dimethyl-4-phenylmethoxyaniline;3-(4-fluorophenyl)-1-(4-hydroxy-2-methylphenyl)-1-methylurea (PubChem CID 160962591) has the molecular formula C30H32FN3O3 and a molecular weight of 501.60 g/mol. Its IUPAC name is N,2-dimethyl-4-phenylmethoxyaniline;3-(4-fluorophenyl)-1-(4-hydroxy-2-methylphenyl)-1-methylurea.

Molecular Properties

Compound NameN,2-dimethyl-4-phenylmethoxyaniline;3-(4-fluorophenyl)-1-(4-hydroxy-2-methylphenyl)-1-methylurea
PubChem CID160962591
Molecular FormulaC30H32FN3O3
Molecular Weight501.60 g/mol
Exact Mass501.24
IUPAC NameN,2-dimethyl-4-phenylmethoxyaniline;3-(4-fluorophenyl)-1-(4-hydroxy-2-methylphenyl)-1-methylurea
SMILESCNc1ccc(OCc2ccccc2)cc1C.Cc1cc(O)ccc1N(C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2.C15H17NO/c1-10-9-13(19)7-8-14(10)18(2)15(20)17-12-5-3-11(16)4-6-12;1-12-10-14(8-9-15(12)16-2)17-11-13-6-4-3-5-7-13/h3-9,19H,1-2H3,(H,17,20);3-10,16H,11H2,1-2H3
InChIKeySXEUDLAVUPIPAX-UHFFFAOYSA-N
XLogP7.12
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.60
LogP ≤ 57.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N,2-dimethyl-4-phenylmethoxyaniline;3-(4-fluorophenyl)-1-(4-hydroxy-2-methylphenyl)-1-methylurea with MolForge

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

Launch Full Analysis

Related Compounds

N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline
CID 158131264
N-(4-fluoro-2-methylphenyl)-2-(3-phenylmethoxyphenyl)acetamide
CID 23440855
2-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 109010754
N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 37220850
3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109037756
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508
2-(4-fluorophenyl)-N-(4-hydroxy-2-methylphenyl)-N-methylacetamide
CID 58272158
1-(2-hydroxyethyl)-3-(2-methyl-4-phenylmethoxyphenyl)urea
CID 111424849
2-[benzyl(methyl)amino]-N-(3-phenylmethoxyphenyl)acetamide
CID 54808615
2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline
CID 156877235
3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109042006
N-(4-fluorophenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 9434497

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-phenylmethoxyaniline;3-(4-fluorophenyl)-1-(4-hydroxy-2-methylphenyl)-1-methylurea?
The IUPAC name of N,2-dimethyl-4-phenylmethoxyaniline;3-(4-fluorophenyl)-1-(4-hydroxy-2-methylphenyl)-1-methylurea (CID 160962591) is N,2-dimethyl-4-phenylmethoxyaniline;3-(4-fluorophenyl)-1-(4-hydroxy-2-methylphenyl)-1-methylurea.
What is the SMILES notation for N,2-dimethyl-4-phenylmethoxyaniline;3-(4-fluorophenyl)-1-(4-hydroxy-2-methylphenyl)-1-methylurea?
The canonical SMILES for N,2-dimethyl-4-phenylmethoxyaniline;3-(4-fluorophenyl)-1-(4-hydroxy-2-methylphenyl)-1-methylurea is CNc1ccc(OCc2ccccc2)cc1C.Cc1cc(O)ccc1N(C)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N,2-dimethyl-4-phenylmethoxyaniline;3-(4-fluorophenyl)-1-(4-hydroxy-2-methylphenyl)-1-methylurea?
The InChIKey is SXEUDLAVUPIPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2.C15H17NO/c1-10-9-13(19)7-8-14(10)18(2)15(20)17-12-5-3-11(16)4-6-12;1-12-10-14(8-9-15(12)16-2)17-11-13-6-4-3-5-7-13/h3-9,19H,1-2H3,(H,17,20);3-10,16H,11H2,1-2H3.
What are the key properties of N,2-dimethyl-4-phenylmethoxyaniline;3-(4-fluorophenyl)-1-(4-hydroxy-2-methylphenyl)-1-methylurea?
N,2-dimethyl-4-phenylmethoxyaniline;3-(4-fluorophenyl)-1-(4-hydroxy-2-methylphenyl)-1-methylurea has a molecular weight of 501.60 g/mol, XLogP of 7.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-phenylmethoxyaniline;3-(4-fluorophenyl)-1-(4-hydroxy-2-methylphenyl)-1-methylurea is sourced from PubChem (CID 160962591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).