3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea

C30H30N4O3 — CID 4210938

IUPAC3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea
SMILESCc1ccc(NC(=O)NCCN(C(=O)Nc2ccc(C)cc2)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C30H30N4O3/c1-22-8-12-24(13-9-22)32-29(35)31-20-21-34(30(36)33-25-14-10-23(2)11-15-25)26-16-18-28(19-17-26)37-27-6-4-3-5-7-27/h3-19H,20-21H2,1-2H3,(H,33,36)(H2,31,32,35)
InChIKeyDMKXOSHESLZRIK-UHFFFAOYSA-N
MW494.60 g/mol
LogP6.96
Rot. Bonds8

About 3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea

3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea (PubChem CID 4210938) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea
PubChem CID4210938
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC Name3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea
SMILESCc1ccc(NC(=O)NCCN(C(=O)Nc2ccc(C)cc2)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C30H30N4O3/c1-22-8-12-24(13-9-22)32-29(35)31-20-21-34(30(36)33-25-14-10-23(2)11-15-25)26-16-18-28(19-17-26)37-27-6-4-3-5-7-27/h3-19H,20-21H2,1-2H3,(H,33,36)(H2,31,32,35)
InChIKeyDMKXOSHESLZRIK-UHFFFAOYSA-N
XLogP6.96
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 56.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea with MolForge

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Related Compounds

4-tert-butyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide
CID 42726194
3-(2-fluorophenyl)-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea
CID 42726113
2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide
CID 42726419
3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide
CID 42725939
1-(4-phenoxyphenyl)-3-phenyl-1-[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 42708779
1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-3-(2-fluorophenyl)-1-(4-phenoxyphenyl)urea
CID 42725951
1-[3-[(3-methoxyphenyl)carbamoylamino]propyl]-3-(4-methylphenyl)-1-phenylurea
CID 42702260
3-(3-methylphenyl)-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]-1-(4-phenoxyphenyl)urea
CID 42726273
1-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1-(4-phenoxyphenyl)urea
CID 42657933
N-[3-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]propyl]-2-phenylbutanamide
CID 42704458
3-(4-methoxyphenyl)-1-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-1-(4-phenoxyphenyl)urea
CID 3919297
N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42705527

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea?
The IUPAC name of 3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea (CID 4210938) is 3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea.
What is the SMILES notation for 3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea?
The canonical SMILES for 3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea is Cc1ccc(NC(=O)NCCN(C(=O)Nc2ccc(C)cc2)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea?
The InChIKey is DMKXOSHESLZRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3/c1-22-8-12-24(13-9-22)32-29(35)31-20-21-34(30(36)33-25-14-10-23(2)11-15-25)26-16-18-28(19-17-26)37-27-6-4-3-5-7-27/h3-19H,20-21H2,1-2H3,(H,33,36)(H2,31,32,35).
What are the key properties of 3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea?
3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea has a molecular weight of 494.60 g/mol, XLogP of 6.96, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea is sourced from PubChem (CID 4210938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).