1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea

C17H20N2O2 — CID 6467864

IUPAC1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
SMILESCOc1ccc(C)cc1NC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C17H20N2O2/c1-12-4-7-14(8-5-12)11-18-17(20)19-15-10-13(2)6-9-16(15)21-3/h4-10H,11H2,1-3H3,(H2,18,19,20)
InChIKeyQBZLLMQKVRLVKG-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.63
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea

1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea (PubChem CID 6467864) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
PubChem CID6467864
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
SMILESCOc1ccc(C)cc1NC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C17H20N2O2/c1-12-4-7-14(8-5-12)11-18-17(20)19-15-10-13(2)6-9-16(15)21-3/h4-10H,11H2,1-3H3,(H2,18,19,20)
InChIKeyQBZLLMQKVRLVKG-UHFFFAOYSA-N
XLogP3.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730
4-N-(2-methoxy-5-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148181
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798
1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 82080459
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 3312760
4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 90044907
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
N'-(2,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2272409

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea (CID 6467864) is 1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea is COc1ccc(C)cc1NC(=O)NCc1ccc(C)cc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea?
The InChIKey is QBZLLMQKVRLVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-4-7-14(8-5-12)11-18-17(20)19-15-10-13(2)6-9-16(15)21-3/h4-10H,11H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea?
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea has a molecular weight of 284.36 g/mol, XLogP of 3.63, 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-methylphenyl)-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 6467864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).