1-(2-methoxy-5-phenylphenyl)-3-(2-methylphenyl)urea

C21H20N2O2 — CID 2237740

IUPAC1-(2-methoxy-5-phenylphenyl)-3-(2-methylphenyl)urea
SMILESCOc1ccc(-c2ccccc2)cc1NC(=O)Nc1ccccc1C
InChIInChI=1S/C21H20N2O2/c1-15-8-6-7-11-18(15)22-21(24)23-19-14-17(12-13-20(19)25-2)16-9-4-3-5-10-16/h3-14H,1-2H3,(H2,22,23,24)
InChIKeyVVGFABXBJWBDGF-UHFFFAOYSA-N
MW332.40 g/mol
LogP5.31
Rot. Bonds4

About 1-(2-methoxy-5-phenylphenyl)-3-(2-methylphenyl)urea

1-(2-methoxy-5-phenylphenyl)-3-(2-methylphenyl)urea (PubChem CID 2237740) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-(2-methoxy-5-phenylphenyl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-methoxy-5-phenylphenyl)-3-(2-methylphenyl)urea
PubChem CID2237740
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-(2-methoxy-5-phenylphenyl)-3-(2-methylphenyl)urea
SMILESCOc1ccc(-c2ccccc2)cc1NC(=O)Nc1ccccc1C
InChIInChI=1S/C21H20N2O2/c1-15-8-6-7-11-18(15)22-21(24)23-19-14-17(12-13-20(19)25-2)16-9-4-3-5-10-16/h3-14H,1-2H3,(H2,22,23,24)
InChIKeyVVGFABXBJWBDGF-UHFFFAOYSA-N
XLogP5.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-5-[3-[(2-methylphenyl)carbamoylamino]-4-(2-propan-2-ylphenoxy)phenyl]benzoic acid
CID 121332686
2-methoxy-5-[3-[(2-methylphenyl)carbamoylamino]-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]benzoic acid
CID 121332656
2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline
CID 2846564
N'-(2-methoxy-5-phenylphenyl)-2-methylpropanehydrazide
CID 11471634
5-[3-[(2-chlorophenyl)carbamoylamino]-4-(2,3-dimethylphenoxy)phenyl]-2-methoxybenzoic acid
CID 121332658
4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049315
1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea
CID 74245608
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
(2-methoxy-5-phenylanilino)azanium chloride
CID 11368724
N-(2-methoxy-5-phenylphenyl)-1H-imidazole-2-carboxamide
CID 86010017
3-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056868
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-phenylphenyl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(2-methoxy-5-phenylphenyl)-3-(2-methylphenyl)urea (CID 2237740) is 1-(2-methoxy-5-phenylphenyl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(2-methoxy-5-phenylphenyl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(2-methoxy-5-phenylphenyl)-3-(2-methylphenyl)urea is COc1ccc(-c2ccccc2)cc1NC(=O)Nc1ccccc1C.
What is the InChIKey of 1-(2-methoxy-5-phenylphenyl)-3-(2-methylphenyl)urea?
The InChIKey is VVGFABXBJWBDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15-8-6-7-11-18(15)22-21(24)23-19-14-17(12-13-20(19)25-2)16-9-4-3-5-10-16/h3-14H,1-2H3,(H2,22,23,24).
What are the key properties of 1-(2-methoxy-5-phenylphenyl)-3-(2-methylphenyl)urea?
1-(2-methoxy-5-phenylphenyl)-3-(2-methylphenyl)urea has a molecular weight of 332.40 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-phenylphenyl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 2237740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).