1,3-dimethyl-1-[(2-methylphenyl)methyl]urea

C11H16N2O — CID 23563161

IUPAC1,3-dimethyl-1-[(2-methylphenyl)methyl]urea
SMILESCNC(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C11H16N2O/c1-9-6-4-5-7-10(9)8-13(3)11(14)12-2/h4-7H,8H2,1-3H3,(H,12,14)
InChIKeySXEPAKXBRRJVQW-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.77
Rot. Bonds2

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

1,3-dimethyl-1-[(2-methylphenyl)methyl]urea (PubChem CID 23563161) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1,3-dimethyl-1-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1,3-dimethyl-1-[(2-methylphenyl)methyl]urea
PubChem CID23563161
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1,3-dimethyl-1-[(2-methylphenyl)methyl]urea
SMILESCNC(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C11H16N2O/c1-9-6-4-5-7-10(9)8-13(3)11(14)12-2/h4-7H,8H2,1-3H3,(H,12,14)
InChIKeySXEPAKXBRRJVQW-UHFFFAOYSA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea
CID 115169289
3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231590
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86987874
3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 86988105
1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea
CID 78871918
3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 24528577
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 43578823
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817499
4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099
1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea
CID 115169299
methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate
CID 9368938

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1,3-dimethyl-1-[(2-methylphenyl)methyl]urea (CID 23563161) is 1,3-dimethyl-1-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1,3-dimethyl-1-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1,3-dimethyl-1-[(2-methylphenyl)methyl]urea is CNC(=O)N(C)Cc1ccccc1C.
What is the InChIKey of 1,3-dimethyl-1-[(2-methylphenyl)methyl]urea?
The InChIKey is SXEPAKXBRRJVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-6-4-5-7-10(9)8-13(3)11(14)12-2/h4-7H,8H2,1-3H3,(H,12,14).
What are the key properties of 1,3-dimethyl-1-[(2-methylphenyl)methyl]urea?
1,3-dimethyl-1-[(2-methylphenyl)methyl]urea has a molecular weight of 192.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 23563161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).