[3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea

C17H21N3O — CID 43744507

IUPAC[3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea
SMILESCc1cc(C)c(CNc2cccc(NC(N)=O)c2)c(C)c1
InChIInChI=1S/C17H21N3O/c1-11-7-12(2)16(13(3)8-11)10-19-14-5-4-6-15(9-14)20-17(18)21/h4-9,19H,10H2,1-3H3,(H3,18,20,21)
InChIKeyRZCBMGSXUATYBI-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.71
Rot. Bonds4

About [3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea

[3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea (PubChem CID 43744507) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea.

Molecular Properties

Compound Name[3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea
PubChem CID43744507
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea
SMILESCc1cc(C)c(CNc2cccc(NC(N)=O)c2)c(C)c1
InChIInChI=1S/C17H21N3O/c1-11-7-12(2)16(13(3)8-11)10-19-14-5-4-6-15(9-14)20-17(18)21/h4-9,19H,10H2,1-3H3,(H3,18,20,21)
InChIKeyRZCBMGSXUATYBI-UHFFFAOYSA-N
XLogP3.71
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,4,6-trimethylphenyl)methylamino]benzamide
CID 28650483
3-[(2,4,6-trimethylphenyl)methylamino]phenol
CID 28722294
[3-(prop-2-ynylamino)phenyl]urea
CID 63951484
[3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea
CID 103944178
[3-[(2-hydroxyphenyl)methylamino]phenyl]urea
CID 43744546
3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide
CID 28541147
2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide
CID 43724074
[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea
CID 64591407
[3-(methylamino)phenyl]urea
CID 23558981
[3-(3-methylbutylamino)phenyl]urea
CID 43744542
[3-[(3,4-dichlorophenyl)methylamino]phenyl]urea
CID 43744497
[4-[(3-methylphenyl)methylamino]phenyl]urea
CID 43744878

Frequently Asked Questions

What is the IUPAC name of [3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea?
The IUPAC name of [3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea (CID 43744507) is [3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea.
What is the SMILES notation for [3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea?
The canonical SMILES for [3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea is Cc1cc(C)c(CNc2cccc(NC(N)=O)c2)c(C)c1.
What is the InChIKey of [3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea?
The InChIKey is RZCBMGSXUATYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-7-12(2)16(13(3)8-11)10-19-14-5-4-6-15(9-14)20-17(18)21/h4-9,19H,10H2,1-3H3,(H3,18,20,21).
What are the key properties of [3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea?
[3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea has a molecular weight of 283.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea is sourced from PubChem (CID 43744507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).