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

C17H20N2O — CID 47133695

IUPAC1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCc2ccccc2C)cc1
InChIInChI=1S/C17H20N2O/c1-13-7-9-15(10-8-13)11-18-17(20)19-12-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyQPVWTJSQFLENJH-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.30
Rot. Bonds4

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

1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 47133695) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea
PubChem CID47133695
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCc2ccccc2C)cc1
InChIInChI=1S/C17H20N2O/c1-13-7-9-15(10-8-13)11-18-17(20)19-12-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyQPVWTJSQFLENJH-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108897128
1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133587
1-[(4-methylphenyl)methyl]-3-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609242
1-[(2-methylphenyl)methyl]-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24612899
1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 4724057
1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 17263304
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 51290890
N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109279954
4-[[2-(2-methylphenyl)ethylcarbamoylamino]methyl]benzoic acid
CID 108899701
1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974899
1-(3,3-dimethylbutyl)-3-[(2-methylphenyl)methyl]urea
CID 55683695
N-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 47033746

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea (CID 47133695) is 1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)NCc2ccccc2C)cc1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea?
The InChIKey is QPVWTJSQFLENJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-7-9-15(10-8-13)11-18-17(20)19-12-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea?
1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 268.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 47133695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).